SCHEMBL3412853

SCHEMBL3412853

Nc1cnc2n[nH]cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
ROCK2 O75116 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL22597594 0.75 CCR1 (0.43) KDM4EAURKACDK7CDK9CDK5
SCHEMBL15328990 0.75 DYRK1A (0.47) ROCK1MAPTKMT2AALDH1A1CHEK1
SCHEMBL3429631 0.75
SCHEMBL4987651 0.74 KDM4E (0.38) ROCK1KDM4EMEN1MAPTKMT2A
SCHEMBL21103953 0.71 DHFR (0.30)
SCHEMBL21672141 0.71
SCHEMBL5123068 0.71 HPGDS (0.41) KDM4EALDH1A1GAAHTT
SCHEMBL21912963 0.71 PARP1 (0.36) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL11160342 0.71 HSD17B10 (0.31)
SCHEMBL1150699 0.69 MGAM (0.46) KDM4EMEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP claimed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO claimed
EP-3019505-A1 SUBSTITUTED PYRAZOLO-PYRIDINAMINES Bayer Pharma Aktiengesellschaft (DE) 2016-05-18 EP disclosed
WO-2015004024-A1 SUBSTITUTED PYRAZOLO-PYRIDINAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 WO disclosed
EP-2736899-A1 SUBSTITUTED BICYCLIC AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-06-04 EP disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2013013816-A1 SUBSTITUTED BICYCLIC AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 WO disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed