SCHEMBL14735574

SCHEMBL14735574

Cc1cccc(-n2nc(-c3ccco3)cc2NC(=O)Nc2ccc(-n3cnc(OC(N)=O)c3N)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.42
MAPK9 P45984 3/20 0.42
DDR2 Q16832 3/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
PTK2 Q05397 4/20 0.40
PTK2B Q14289 1/20 0.40
PTGS1 P23219 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KCNJ6 P48051 5/20 0.38
KCNJ3 P48549 5/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SRC P12931 1/20 0.37
KCNJ5 P48544 3/20 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
SCHEMBL4722719 0.89 PTGS1 (0.46) PTK2PTK2BPTGS1KDM4EMEN1
SCHEMBL3535023 0.88 MAPK14 (0.43) MAPK14MAPK9DDR2MAPK13MAPK12
SCHEMBL14735591 0.83 MAPK14 (0.62) MAPK14MAPK9DDR2MAPK13MAPK12
SCHEMBL3531298 0.82 PTK2 (0.62) MAPK14MAPK9DDR2MAPK13MAPK12
SCHEMBL3532225 0.77 PTGS1 (0.48) PTK2PTK2BPTGS1KDM4EMEN1
SCHEMBL3530620 0.77 PTK2 (0.45) MAPK14MAPK9DDR2MAPK13MAPK12
SCHEMBL14735558 0.75 MAPK14 (0.55) MAPK14MAPK9DDR2MAPK13MAPK12
SCHEMBL3535452 0.75 PTK2 (0.46) MAPK14MAPK9DDR2MAPK13MAPK12
SCHEMBL3532936 0.73 MAPK14 (0.54) MAPK14MAPK9DDR2KDM4EMEN1
SCHEMBL2210314 0.73 MAPK14 (0.62) MAPK14MAPK9DDR2MAPK13MAPK12

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