SCHEMBL6980608

SCHEMBL6980608

FC(F)(F)Oc1cccc(Nc2ccnc(Cl)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.60
CTSC P53634 2/20 0.53
SYK P43405 1/20 0.51
EGFR P00533 1/20 0.50
GALR2 O43603 2/20 0.49
GALR1 P47211 2/20 0.49
ROCK1 Q13464 3/20 0.49
AURKA O14965 2/20 0.47
PRKCA P17252 2/20 0.47
ROCK2 O75116 1/20 0.46
PRKACA P17612 1/20 0.46
PRKCD Q05655 1/20 0.46
DYRK1A Q13627 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL6978657 0.82 EGFR (0.72) IGF1REGFRROCK1
SCHEMBL16127509 0.81 IGF1R (0.72) IGF1RCTSCSYKEGFRGALR2
SCHEMBL6969576 0.80 EGFR (0.54) IGF1RSYKEGFRROCK1ROCK2
SCHEMBL16127518 0.78 IGF1R (0.69) IGF1RCTSCSYKEGFRAURKA
SCHEMBL30394994 0.78 CTSC (0.74) IGF1RCTSCSYKEGFREPHX2
SCHEMBL29019897 0.78 CTSC (0.74) IGF1RCTSCSYKEGFREPHX2
SCHEMBL3211816 0.77 HTR3E (0.72) IGF1RSYKEGFRROCK1AURKA
SCHEMBL2064243 0.77 ROCK1 (0.56) IGF1RSYKEGFRROCK1AURKA
SCHEMBL655098 0.77 SYK (0.76) CTSCSYKEGFRAURKAEPHX2
SCHEMBL1702145 0.77 CTSC (0.51) IGF1RCTSCSYKGALR2GALR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO disclosed