SCHEMBL691927

SCHEMBL691927

CCCn1nc(C)cc1Nc1cc(Nc2c(F)cccc2C#N)c(Cl)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
TSHR P16473 1/20 0.37
PTK2 Q05397 1/20 0.36
MAP3K8 P41279 10/20 0.35
MAPK1 P28482 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP3K14 Q99558 2/20 0.32
P2RX3 P56373 1/20 0.32
MAPK13 O15264 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
SRC P12931 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32

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
SCHEMBL691469 0.86 PTK2 (0.44) GAATSHRPTK2NPC1LMNA
SCHEMBL691451 0.84 MAPK1 (0.38) GAATSHRPTK2MAPK1RPS6KA1
SCHEMBL691926 0.84 PTK2 (0.52) PTK2MAP3K8MAPK1RPS6KA1SRC
SCHEMBL691211 0.83 PTK2 (0.44) GAAPTK2MAPK1RPS6KA1
SCHEMBL691073 0.81 GAA (0.46) GAATSHRPTK2MAP3K8SRC
SCHEMBL1293073 0.75 PTK2 (0.47) PTK2MAPK1
SCHEMBL692860 0.73 PTK2 (0.59) GAAPTK2MAPK1RPS6KA1SMN1; SMN2
SCHEMBL691296 0.73 PTK2 (0.56) GAAPTK2MAPK1LMNA
SCHEMBL691390 0.73 PTK2 (0.46) GAAPTK2MAPK1RPS6KA1LMNA
SCHEMBL691573 0.73 MAPK1 (0.50) GAAPTK2MAPK1RPS6KA1LMNA

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