SCHEMBL4246907

SCHEMBL4246907

NC(=O)c1cnccc1C=Cc1ccccc1.O=C1NC(c2ccccc2)Cc2ccncc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
CCNC P24863 2/20 0.31
CDK8 P49336 2/20 0.31
SYK P43405 1/20 0.31
CDC7 O00311 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
CACNA1B Q00975 1/20 0.31
CREBBP Q92793 2/20 0.31
SIRT3 Q9NTG7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
LDHA P00338 1/20 0.30

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
SCHEMBL4071971 0.80 PKN1 (0.54) PKN1PKN2CDC7BRD4ALDH1A1
SCHEMBL4073902 0.78 SIRT3 (0.47) CCNCCDK8CDC7SIRT2SIRT3
SCHEMBL4073897 0.78 SIRT3 (0.47) CCNCCDK8CDC7SIRT2SIRT3
SCHEMBL28308669 0.68 SIRT3 (0.45) CCNCCDK8CDC7SIRT2SIRT3
SCHEMBL27185866 0.68 CYP11B1 (0.50) TDP1ALDH1A1MAPT
SCHEMBL3890285 0.66 TSHR (0.50) PKN1PKN2ALDH1A1MAPT
SCHEMBL7390257 0.63 JUN (0.46) SIRT2ALDH1A1LMNAMAPT
SCHEMBL26703813 0.63 MEN1 (0.44) PKN1PKN2TDP1BRD4ALDH1A1
SCHEMBL29784506 0.63 CYP1A2 (0.50) ALDH1A1LMNAMAPT
SCHEMBL31678976 0.62 SIRT2 (0.57) SIRT2TDP1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 WO disclosed