SCHEMBL14735591

SCHEMBL14735591

Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cnc(OC(N)=O)c3N)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.62
MAPK13 O15264 6/20 0.62
MAPK12 P53778 6/20 0.62
MAPK11 Q15759 6/20 0.62
MAPK9 P45984 3/20 0.62
DDR2 Q16832 3/20 0.62
PTK2 Q05397 7/20 0.58
PTK2B Q14289 1/20 0.57
SRC P12931 1/20 0.56
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL14735558 0.91 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL14735567 0.88 PTK2 (0.57) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL14735595 0.88 PTK2 (0.56) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3528828 0.87 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL14735446 0.87 PTK2 (0.58) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL14735574 0.83 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL3532220 0.80 PTK2 (0.87) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL13499154 0.80 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL14735592 0.79 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3534723 0.79 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912998-B1 PYRAZOLE DERIVATIVES HAVING TYROSINKINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-06 EP disclosed