SCHEMBL6976694

SCHEMBL6976694

COc1cccc(Nc2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.81
IGF1R P08069 13/20 0.80
KDR P35968 3/20 0.67
INSR P06213 1/20 0.67
MET P08581 1/20 0.67
CDK2 P24941 1/20 0.67
TEK Q02763 1/20 0.67
FAM20C Q8IXL6 1/20 0.61
ROCK1 Q13464 1/20 0.60
BRD4 O60885 1/20 0.60
PIK3CA P42336 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57

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
SCHEMBL6971010 0.93 EGFR (0.74) EGFRIGF1RKDRINSRMET
Hydrochloric Acid SCHEMBL7945502 0.91 EGFR (0.71) EGFRIGF1RKDRINSRMET
SCHEMBL6976965 0.90 EGFR (0.69) EGFRIGF1RKDRINSRMET
SCHEMBL1116426 0.90 IGF1R (0.74) EGFRIGF1RKDRINSRMET
SCHEMBL1377802 0.90 EGFR (1.00) EGFRIGF1RKDRCDK2ROCK1
SCHEMBL7952306 0.90 IGF1R (0.67) EGFRIGF1RKDRINSRMET
SCHEMBL1116424 0.89 EGFR (0.83) EGFRIGF1RKDRCDK2ROCK1
SCHEMBL6981276 0.89 IGF1R (1.00) EGFRIGF1RKDRINSRMET
SCHEMBL1116462 0.89 IGF1R (0.79) EGFRIGF1RKDRINSRMET
SCHEMBL6981464 0.88 IGF1R (0.78) EGFRIGF1RKDRINSRMET

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