SCHEMBL691390

SCHEMBL691390

CCCn1nc(C)cc1Nc1cc(Nc2ccc(F)cc2C(=O)O)c(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.46
MAPK1 P28482 2/20 0.44
MAPK3 P27361 1/20 0.44
KDM4C Q9H3R0 5/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FTO Q9C0B1 1/20 0.39
RPS6KA1 Q15418 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
DHODH Q02127 3/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
P2RY4 P51582 1/20 0.35

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
SCHEMBL691573 0.93 MAPK1 (0.50) PTK2MAPK1MAPK3KDM4CFTO
SCHEMBL691084 0.91 PTK2 (0.47) PTK2MAPK1MAPK3KDM4CFABP3
SCHEMBL692012 0.89 PTK2 (0.58) PTK2MAPK1MAPK3KDM4CRPS6KA1
SCHEMBL691296 0.88 PTK2 (0.56) PTK2MAPK1MAPK3KDM4CFTO
SCHEMBL689985 0.85 PTK2 (0.45) PTK2MAPK1MAPK3KDM4CKDM4E
SCHEMBL691211 0.84 PTK2 (0.44) PTK2MAPK1MAPK3KDM4CFTO
SCHEMBL1292996 0.84 MAPK1 (0.52) PTK2MAPK1MAPK3RPS6KA1
SCHEMBL690575 0.84 PTK2 (0.58) PTK2MAPK1MAPK3KDM4CRPS6KA1
SCHEMBL691389 0.84 PTK2 (0.64) PTK2MAPK1MAPK3FABP3FABP4
SCHEMBL691451 0.83 MAPK1 (0.38) PTK2MAPK1MAPK3RPS6KA1LMNA

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-2421537-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GlaxoSmithKline LLC (US) 2012-02-29 EP disclosed
WO-2010062578-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-06-03 WO disclosed