SCHEMBL5481767

SCHEMBL5481767

NC(=O)c1cccc(-c2ncc[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.55
MTOR P42345 1/20 0.53
ADK P55263 1/20 0.53
NISCH Q9Y2I1 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CSNK1A1 P48729 1/20 0.53
TYRO3 Q06418 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
CCNT1 O60563 1/20 0.52
CCND1 P24385 1/20 0.52
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
CCNH P51946 1/20 0.52
MNAT1 P51948 1/20 0.52
CDK6 Q00534 1/20 0.52
PARP1 P09874 4/20 0.51
VCP P55072 1/20 0.48

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
SCHEMBL45099 0.85 KDM4E (0.68) MTORADKNISCHKDM4EALDH1A1
SCHEMBL29569789 0.85 KDM4E (0.68) MTORADKNISCHKDM4EALDH1A1
SCHEMBL12647965 0.84 NISCH (0.53) MTORADKNISCHKDM4EALDH1A1
SCHEMBL6843665 0.82 MAP2K4 (0.62) PRKCIKDM4EALDH1A1PARP1MAP2K4
SCHEMBL3634334 0.81 KDM4E (0.72) MTORADKNISCHKDM4EALDH1A1
SCHEMBL3062520 0.81 KDM4E (0.70) MTORADKNISCHKDM4EALDH1A1
SCHEMBL16777437 0.80 NISCH (0.72) MTORADKNISCHKDM4EALDH1A1
SCHEMBL12664163 0.80 KDM4E (0.49) MTORADKNISCHKDM4EALDH1A1
SCHEMBL6610117 0.79 VCP (0.53) MTORADKNISCHKDM4EALDH1A1
SCHEMBL4631461 0.78 PRKCI (0.54) PRKCICCNT1CCND1CCNCCDK8

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-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed