SCHEMBL807297

SCHEMBL807297

Nc1cc(NCCO)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.51
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHEK1 O14757 2/20 0.41
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
MAP4K4 O95819 2/20 0.39
TYK2 P29597 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
MINK1 Q8N4C8 1/20 0.39

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
SCHEMBL29402899 1.00 EGFR (0.51) EGFRCYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL30138380 0.89 CHEK1 (0.52) EGFRCYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL20929505 0.89 CHEK1 (0.52) EGFRCYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL10187338 0.81 DNM2 (0.45) EGFRALDH1A1CHEK1CCNA2CDK2
SCHEMBL18636563 0.78 DNM2 (0.54) CHEK1CCNA2CDK2CDK1CCNB1
SCHEMBL20929513 0.78 HRH4 (0.42) EGFRCHEK1CCNA2CDK2CDK1
SCHEMBL30138264 0.78 HRH4 (0.42) EGFRCHEK1CCNA2CDK2CDK1
SCHEMBL20929745 0.78 HRH4 (0.45) EGFRCHEK1CCNA2CDK2CDK1
SCHEMBL30138279 0.78 HRH4 (0.45) EGFRCHEK1CCNA2CDK2CDK1
SCHEMBL11981509 0.77 EGFR (0.55) EGFRCYP2D6CYP2C19KDM4EALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076354-A Methods of treating migraine with MNK inhibitors 4E治疗公司 2024-05-24 CN disclosed
EP-4363419-A1 SPIROCYCLIC PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE 4E Therapeutics, Inc. (US) 2024-05-08 EP disclosed
CN-117980305-A Spirocyclic pyridine-1, 5-diones exhibiting MNK inhibition and methods of use thereof 4E治疗公司 2024-05-03 CN disclosed
CN-115557947-B Pyrazolo [4,3-c ] pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2024-04-02 CN disclosed
CN-116490505-A MNK inhibitors 和博医药有限公司 2023-07-25 CN disclosed
WO-2023278686-A1 SPIROCYCLIC PYRIDINE-1,5-DIONES EXHIBITING MNK INHIBITION AND THEIR METHOD OF USE 4E THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
EP-4017590-A1 PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-06-29 EP disclosed
WO-2021032582-A1 PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2021-02-25 WO disclosed
WO-2021032582-A1 PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2021-02-25 WO disclosed
EP-2640722-B1 PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS HOFFMANN LA ROCHE (CH) 2015-11-04 EP disclosed
WO-2015091584-A1 THIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS TYK2 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
WO-2013041539-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
WO-2012066061-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-24 WO disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed