SCHEMBL27780429

SCHEMBL27780429

CC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(Cc2ccc(C(=O)O)cc2)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.57
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CTNNB1 P35222 2/20 0.39
▸ WNT3A P56704 2/20 0.39
▸ RPS6KA3 P51812 1/20 0.38
▸ ESR1 P03372 5/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ RPS6KA1 Q15418 1/20 0.35
▸ NEK2 P51955 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL4437416 0.84 MET (0.60) METPOLBMAPK1SMN1; SMN2CTNNB1
SCHEMBL1583361 0.80 MET (0.80) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2011081 0.80 MET (0.67) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4997410 0.79 MET (0.58) METPOLBMAPK1SMN1; SMN2CTNNB1
SCHEMBL1982875 0.77 MET (0.63) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4987926 0.76 MET (0.61) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2011745 0.76 MET (0.61) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2013113 0.75 MET (0.63) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4437291 0.74 MET (0.57) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2009516 0.74 MET (0.67) METPOLBMAPK1SMN1; SMN2RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101558040-A Dihydropyridine derivatives useful as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-10-14 — — CN claimed
CN-101558040-A Dihydropyridine derivatives useful as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-10-14 — — CN disclosed
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