SCHEMBL6975245

SCHEMBL6975245

COc1cc(Nc2nccc(C#N)n2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.57
CDK2 P24941 4/20 0.57
EGFR P00533 2/20 0.57
JAK2 O60674 1/20 0.57
PIK3CA P42336 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
PTK2B Q14289 1/20 0.57
PRKD3 O94806 1/20 0.56
PRKCG P05129 1/20 0.56
PRKCB P05771 1/20 0.56
LCK P06239 1/20 0.56
PRKCA P17252 1/20 0.56
PRKCH P24723 1/20 0.56
PRKCI P41743 1/20 0.56
ZAP70 P43403 1/20 0.56
PRKCE Q02156 1/20 0.56
PRKCQ Q04759 1/20 0.56
PRKCZ Q05513 1/20 0.56
PRKCD Q05655 1/20 0.56

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
SCHEMBL4360382 0.80 EGFR (0.73) CDK2EGFRJAK2PIK3CAPIK3CB
SCHEMBL14088802 0.80 IGF1R (0.62) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL1116462 0.80 IGF1R (0.79) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL1131578 0.79 CDK2 (0.68) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL4470281 0.79 IGF1R (0.61) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL1667266 0.78 EGFR (0.67) CDK2EGFRJAK2PIK3CAPIK3CB
SCHEMBL4476945 0.78 IGF1R (0.60) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL6980935 0.78 IGF1R (0.60) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL6979315 0.78 CDK2 (0.79) IGF1RCDK2EGFRJAK2PIK3CA
SCHEMBL4732945 0.76 PIK3CA (0.80) CDK2EGFRJAK2PIK3CAPIK3CB

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 3 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