SCHEMBL689985

SCHEMBL689985

CCCn1nc(C)cc1Nc1cc(Nc2cc(Cl)ccc2C(=O)O)c(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.45
KDM4C Q9H3R0 4/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.40
PABPC1 P11940 1/20 0.40
MAPK3 P27361 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37
NTRK1 P04629 1/20 0.37
P2RX3 P56373 1/20 0.36
GAA P10253 2/20 0.36
KCNH2 Q12809 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
SCHEMBL691084 0.93 PTK2 (0.47) PTK2KDM4CPOLBALDH1A1KDM4E
SCHEMBL691573 0.91 MAPK1 (0.50) PTK2KDM4CMEN1KMT2APOLB
SCHEMBL691296 0.90 PTK2 (0.56) PTK2KDM4CMEN1KMT2AALDH1A1
SCHEMBL691390 0.85 PTK2 (0.46) PTK2KDM4CKDM4ESMN1; SMN2MAPK3
SCHEMBL691543 0.83 PTK2 (0.60) PTK2KDM4CPOLBALDH1A1SMN1; SMN2
SCHEMBL689984 0.83 PTK2 (0.64) PTK2KDM4CMEN1KMT2APOLB
SCHEMBL691211 0.82 PTK2 (0.44) PTK2KDM4CMEN1KMT2AALDH1A1
SCHEMBL691652 0.82 PTK2 (0.57) PTK2MEN1KMT2AUSP2MAPK3
SCHEMBL691659 0.81 PTK2 (0.59) PTK2MAPK3MAPK1KCNH2
SCHEMBL690575 0.80 PTK2 (0.58) PTK2KDM4CMEN1KMT2ASMN1; SMN2

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