SCHEMBL6978356

SCHEMBL6978356

COc1cc(Nc2nccc(NC(=O)OC(C)(C)C)n2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.57
PLK1 P53350 1/20 0.56
KDR P35968 2/20 0.53
EGFR P00533 2/20 0.53
CDK2 P24941 2/20 0.53
INSR P06213 1/20 0.53
MET P08581 1/20 0.53
TEK Q02763 1/20 0.53
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
LCK P06239 1/20 0.51
PRKCA P17252 1/20 0.51
PRKCH P24723 1/20 0.51
PRKCI P41743 1/20 0.51
ZAP70 P43403 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCZ Q05513 1/20 0.51
PRKCD Q05655 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
SCHEMBL6980490 0.84 EGFR (0.64) EGFRCDK2PRKD3PRKCGPRKCB
SCHEMBL28160275 0.84 IGF1R (0.62) IGF1RPLK1KDREGFRCDK2
SCHEMBL14214750 0.82 IGF1R (0.57) IGF1RKDRPTK2
SCHEMBL1116462 0.80 IGF1R (0.79) IGF1RPLK1KDREGFRCDK2
SCHEMBL6972075 0.80 IGF1R (0.64) IGF1RKDREGFRCDK2INSR
SCHEMBL6970116 0.80 FAM20C (0.58) IGF1RPLK1KDREGFRCDK2
SCHEMBL5838255 0.79 ATR (0.47)
SCHEMBL1131578 0.77 CDK2 (0.68) IGF1RKDREGFRCDK2INSR
SCHEMBL14494975 0.76 ALDH1A1 (0.51)
SCHEMBL6980935 0.76 IGF1R (0.60) IGF1RPLK1KDREGFRCDK2

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