SCHEMBL6972894

SCHEMBL6972894

COc1cc(Nc2nccc(NCc3ccccc3)n2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.66
KDR P35968 2/20 0.60
EGFR P00533 2/20 0.60
CDK2 P24941 2/20 0.60
INSR P06213 1/20 0.60
MET P08581 1/20 0.60
TEK Q02763 1/20 0.60
ACHE P22303 1/20 0.58
BACE1 P56817 1/20 0.58
USP2 O75604 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
BRD4 O60885 1/20 0.53
PRKD3 O94806 1/20 0.53
PRKCG P05129 1/20 0.53
PRKCB P05771 1/20 0.53
LCK P06239 1/20 0.53

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
SCHEMBL14214590 0.84 IGF1R (0.66) IGF1RKDRTEKLCK
SCHEMBL6981464 0.84 IGF1R (0.78) IGF1RKDREGFRCDK2INSR
SCHEMBL1116462 0.82 IGF1R (0.79) IGF1RKDREGFRCDK2INSR
SCHEMBL1116439 0.81 IGF1R (0.70) IGF1RKDREGFRCDK2INSR
SCHEMBL6980901 0.81 IGF1R (0.70) IGF1RKDREGFRCDK2INSR
SCHEMBL7952306 0.78 IGF1R (0.67) IGF1RKDREGFRCDK2INSR
SCHEMBL1116441 0.78 IGF1R (0.76) IGF1RKDREGFRCDK2INSR
SCHEMBL14292489 0.78 IGF1R (0.64) IGF1RKDREGFRCDK2INSR
SCHEMBL6972075 0.77 IGF1R (0.64) IGF1RKDREGFRCDK2INSR
SCHEMBL6979115 0.77 FAM20C (0.70) IGF1RKDREGFRCDK2INSR

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