SCHEMBL7082129

SCHEMBL7082129

CCOc1cccc(Nc2ccnc(Nc3cc(OCC)c(OCC)c(OCC)c3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.62
IGF1R P08069 9/20 0.59
SYK P43405 4/20 0.58
KDR P35968 2/20 0.49
CDK2 P24941 2/20 0.48
INSR P06213 1/20 0.48
MET P08581 1/20 0.48
TEK Q02763 1/20 0.48
AURKA O14965 2/20 0.47
PRKCD Q05655 2/20 0.47
CHEK1 O14757 1/20 0.47
IKBKB O14920 1/20 0.47
NPC1 O15118 1/20 0.47
PDPK1 O15530 1/20 0.47
CHEK2 O96017 1/20 0.47
PRKCG P05129 1/20 0.47
CDK1 P06493 1/20 0.47
LYN P07948 1/20 0.47
MAPT P10636 1/20 0.47
KIT P10721 1/20 0.47

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 0.79 EGFR (0.81) EGFRIGF1RKDRCDK2INSR
SCHEMBL1377802 0.78 EGFR (1.00) EGFRIGF1RSYKKDRCDK2
SCHEMBL6969576 0.77 EGFR (0.54) EGFRIGF1RSYKKDRPRKCD
SCHEMBL6971010 0.76 EGFR (0.74) EGFRIGF1RKDRCDK2INSR
SCHEMBL1116424 0.75 EGFR (0.83) EGFRIGF1RKDRCDK2AURKA
SCHEMBL7952306 0.75 IGF1R (0.67) EGFRIGF1RKDRCDK2INSR
SCHEMBL653625 0.75 SYK (1.00) EGFRIGF1RSYKKDRCDK2
SCHEMBL31046394 0.74 EGFR (0.92) EGFRIGF1RSYKKDRCDK2
Hydrochloric Acid SCHEMBL7945502 0.74 EGFR (0.71) EGFRIGF1RKDRCDK2INSR
SCHEMBL6981276 0.74 IGF1R (1.00) EGFRIGF1RKDRCDK2INSR

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