SCHEMBL6981464

SCHEMBL6981464

COc1cc(Nc2nccc(Nc3ccccc3)n2)cc(OC)c1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.78
CDK2 P24941 2/20 0.73
KDR P35968 2/20 0.73
EGFR P00533 2/20 0.73
INSR P06213 1/20 0.73
MET P08581 1/20 0.73
TEK Q02763 1/20 0.73
AURKA O14965 2/20 0.68
NPC1 O15118 2/20 0.66
MAPT P10636 2/20 0.66
MAPK1 P28482 2/20 0.66
RAB9A P51151 2/20 0.66
PRKCG P05129 2/20 0.66
PRKCD Q05655 2/20 0.66
CHEK1 O14757 1/20 0.66
IKBKB O14920 1/20 0.66
PDPK1 O15530 1/20 0.66
CHEK2 O96017 1/20 0.66
CDK1 P06493 1/20 0.66
LYN P07948 1/20 0.66

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
SCHEMBL1116462 0.93 IGF1R (0.79) IGF1RCDK2KDREGFRINSR
SCHEMBL1116441 0.91 IGF1R (0.76) IGF1RCDK2KDREGFRINSR
SCHEMBL6980742 0.88 FAM20C (0.78) IGF1RCDK2KDREGFRINSR
SCHEMBL6976694 0.88 EGFR (0.81) IGF1RCDK2KDREGFRINSR
SCHEMBL31180291 0.87 IGF1R (0.71) IGF1RCDK2KDREGFRINSR
SCHEMBL6967800 0.87 IGF1R (0.71) IGF1RCDK2KDREGFRINSR
SCHEMBL6976835 0.87 IGF1R (0.78) IGF1RCDK2KDREGFRINSR
SCHEMBL1116426 0.87 IGF1R (0.74) IGF1RCDK2KDREGFRINSR
SCHEMBL6980901 0.87 IGF1R (0.70) IGF1RCDK2KDREGFRINSR
SCHEMBL1116439 0.87 IGF1R (0.70) IGF1RCDK2KDREGFRINSR

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