SCHEMBL176451

SCHEMBL176451

O=C(c1ccncc1)c1n[nH]c2ccc(NC(=O)C3CN(Cc4ccccc4Cl)CCO3)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
MAPK3 P27361 2/20 0.41
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 1/20 0.39
MAPK6 Q16659 1/20 0.39
RXRB P28702 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ROCK2 O75116 1/20 0.38
CCR2 P41597 1/20 0.38
ROCK1 Q13464 1/20 0.38
GRIN2B Q13224 1/20 0.38
PDPK1 O15530 1/20 0.37

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
SCHEMBL173729 0.89 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL176131 0.80 MAPK1 (0.57) MAPK1
SCHEMBL173727 0.80 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL173759 0.80 MAPK1 (0.56) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL170847 0.78 MAPK1 (0.52) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL176113 0.78 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15022550 0.78 MAPK1 (0.54) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL173256 0.77 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021795 0.77 MAPK1 (0.56) MAPK1MAPK3MAP2K2MAP2K1MAPK6
SCHEMBL15021826 0.77 MAPK1 (0.53) MAPK1MAPK3MAP2K2MAP2K1MAPK6

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
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 EP disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO disclosed