SCHEMBL14735592

SCHEMBL14735592

CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc(C(N)=O)c3N)cc2)n(-c2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.69
MAPK13 O15264 14/20 0.69
MAPK12 P53778 14/20 0.69
MAPK11 Q15759 14/20 0.69
DDR2 Q16832 1/20 0.61
PTK2 Q05397 4/20 0.61
PTK2B Q14289 1/20 0.60
ABL2 P42684 1/20 0.57
EPHB4 P54760 1/20 0.57
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL13499154 0.94 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3528828 0.92 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3533020 0.92 PTK2 (0.60) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3538354 0.91 PTK2 (0.59) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3535040 0.90 PTK2 (0.60) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3534723 0.90 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL29623272 0.82 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL19350921 0.82 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3534301 0.81 PTK2 (0.89) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL28942120 0.81 MAPK14 (1.00) 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