SCHEMBL6981398

SCHEMBL6981398

COc1cc(Nc2nccc(Nc3ccc(OCC(=O)O)cc3)n2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.64
FAM20C Q8IXL6 1/20 0.63
KDR P35968 2/20 0.56
BRD4 O60885 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
CDK2 P24941 2/20 0.55
EGFR P00533 1/20 0.55
INSR P06213 1/20 0.55
MET P08581 1/20 0.55
TEK Q02763 1/20 0.55
SYK P43405 1/20 0.54
AURKA O14965 1/20 0.51
PLK1 P53350 1/20 0.51

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
SCHEMBL6970116 0.87 FAM20C (0.58) IGF1RFAM20CKDRBRD4MEN1
SCHEMBL6965131 0.86 IGF1R (0.62) IGF1RFAM20CKDRBRD4MEN1
SCHEMBL6980742 0.85 FAM20C (0.78) IGF1RFAM20CKDRBRD4MEN1
SCHEMBL6968704 0.84 IGF1R (0.65) IGF1RFAM20CKDRBRD4MEN1
SCHEMBL1116439 0.83 IGF1R (0.70) IGF1RFAM20CKDRBRD4MEN1
SCHEMBL6980901 0.83 IGF1R (0.70) IGF1RFAM20CKDRBRD4MEN1
SCHEMBL1116462 0.83 IGF1R (0.79) IGF1RFAM20CKDRBRD4MEN1
SCHEMBL1116441 0.83 IGF1R (0.76) IGF1RFAM20CKDRBRD4MEN1
SCHEMBL6967800 0.82 IGF1R (0.71) IGF1RFAM20CKDRBRD4MEN1
SCHEMBL6974286 0.82 IGF1R (0.65) IGF1RFAM20CKDRBRD4MEN1

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