SCHEMBL2269074

SCHEMBL2269074

Nc1cccc2c1CCCN2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.46
PARP1 P09874 1/20 0.44
BCHE P06276 2/20 0.43
CD44 P16070 1/20 0.43
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GID4 Q8IVV7 1/20 0.38
DRD2 P14416 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NOTUM Q6P988 1/20 0.33
ACHE P22303 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29805885 1.00 NUDT1 (0.46) NUDT1PARP1BCHECD44GRIA1
SCHEMBL9267430 0.92 PARP1 (0.42) NUDT1PARP1BCHECD44GRIA1
SCHEMBL126414 0.88 PARP1 (0.56) NUDT1PARP1BCHECD44GID4
SCHEMBL30826409 0.78 NUDT1 (0.47) NUDT1PARP1BCHEGRIA1GRIA2
SCHEMBL5757236 0.78 NUDT1 (0.47) NUDT1PARP1BCHEGRIA1GRIA2
SCHEMBL23564778 0.76 GRIA1 (0.41) NUDT1PARP1BCHEGRIA1GRIA2
SCHEMBL2260714 0.76 GRIA1 (0.41) NUDT1BCHEGRIA1GRIA2GRIA3
SCHEMBL8650202 0.76 PARP10 (0.44) NUDT1BCHEGRIA1GRIA2GRIA3
SCHEMBL17969115 0.76 GRIA1 (0.41) NUDT1PARP1BCHEGRIA1GRIA2
SCHEMBL6780467 0.76 GRIA1 (0.45) NUDT1PARP1BCHEGRIA1GRIA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent OREAL (FR) 2009-04-22 EP claimed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
EP-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 EP claimed
CN-112604706-B Preparation method and application of Co@CN catalyst derived from nitrogen-containing super-crosslinked polymer 荆楚理工学院 2023-11-10 CN disclosed
CN-114829344-A Novel pyrimidine derivative and use thereof 韩国化学研究院 2022-07-29 CN disclosed
WO-2021127047-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC (US) 2021-06-24 WO disclosed
WO-2021127044-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC (US) 2021-06-24 WO disclosed
WO-2020210320-A1 SUBSTITUTED L,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS, LLC (US) 2020-10-15 WO disclosed
CN-109206435-B Thieno [3,2-d ] pyrimidine compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2020-09-08 CN disclosed
WO-2019173082-A1 SUBSTITUTED L,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES Zeno Royalties & Milestones, LLC (US) 2019-09-12 WO disclosed
CN-109206435-A Thieno [3,2-d] pyrimidines and preparation method thereof and medical usage 中国医药研究开发中心有限公司 2019-01-15 CN disclosed
EP-2182914-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'Oreal (FR) 2010-05-12 EP disclosed
EP-2175830-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'Oreal (FR) 2010-04-21 EP disclosed
EP-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent OREAL (FR) 2009-04-22 EP disclosed
WO-2009019383-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL (FR) 2009-02-12 WO disclosed
WO-2009016061-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL (FR) 2009-02-05 WO disclosed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO disclosed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 WO disclosed
EP-1459732-A1 Dye composition comprising at least one heterocyclic oxidation base and at least one 2,3,5-triaminopyridine as coupler L'OREAL (FR) 2004-09-22 EP disclosed
EP-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 EP disclosed