SCHEMBL14735558

SCHEMBL14735558

CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc(OC(N)=O)c3N)cc2)n(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.55
MAPK13 O15264 7/20 0.54
MAPK12 P53778 7/20 0.54
MAPK11 Q15759 7/20 0.54
DDR2 Q16832 3/20 0.54
SRC P12931 1/20 0.53
BRAF P15056 2/20 0.52
PTK2 Q05397 3/20 0.51
PTK2B Q14289 1/20 0.51
MAPK9 P45984 1/20 0.51

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
SCHEMBL14735595 0.92 PTK2 (0.56) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL14735591 0.91 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3534723 0.88 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL14735567 0.88 PTK2 (0.57) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL14735446 0.85 PTK2 (0.58) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3581045 0.82 PTK2 (0.62) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3528327 0.81 PTK2 (0.78) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3538354 0.80 PTK2 (0.59) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3528828 0.79 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL14735592 0.78 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11DDR2

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 claimed