SCHEMBL6981276

SCHEMBL6981276

COc1cc(Nc2nccc(Nc3cccc(OC(F)(F)F)c3)n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 14/20 1.00
EGFR P00533 2/20 0.64
KDR P35968 3/20 0.60
INSR P06213 1/20 0.60
MET P08581 1/20 0.60
CDK2 P24941 1/20 0.60
TEK Q02763 1/20 0.60
BRD4 O60885 1/20 0.56
FAM20C Q8IXL6 1/20 0.53
AURKA O14965 1/20 0.52

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
SCHEMBL6976694 0.89 EGFR (0.81) IGF1REGFRKDRINSRMET
SCHEMBL16127509 0.83 IGF1R (0.72) IGF1REGFRCDK2AURKA
SCHEMBL6971010 0.83 EGFR (0.74) IGF1REGFRKDRINSRMET
SCHEMBL1116462 0.83 IGF1R (0.79) IGF1REGFRKDRINSRMET
SCHEMBL14214611 0.83 IGF1R (0.70) IGF1REGFR
SCHEMBL1116426 0.82 IGF1R (0.74) IGF1REGFRKDRINSRMET
SCHEMBL6981464 0.82 IGF1R (0.78) IGF1REGFRKDRINSRMET
Hydrochloric Acid SCHEMBL7945502 0.81 EGFR (0.71) IGF1REGFRKDRINSRMET
SCHEMBL16127518 0.81 IGF1R (0.69) IGF1REGFRAURKA
SCHEMBL6976965 0.80 EGFR (0.69) IGF1REGFRKDRINSRMET

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