SCHEMBL6608826

SCHEMBL6608826

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CC(C(=O)N(C)C)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 8/20 0.65
EGFR P00533 14/20 0.62
GAK O14976 1/20 0.58
RIPK2 O43353 1/20 0.58
LYN P07948 1/20 0.58
RET P07949 1/20 0.58
EPHA1 P21709 1/20 0.58
ERBB3 P21860 1/20 0.58
EPHA2 P29317 1/20 0.58
EPHB2 P29323 1/20 0.58
EPHA5 P54756 1/20 0.58
EPHB4 P54760 1/20 0.58
EPHA4 P54764 1/20 0.58
ADK P55263 1/20 0.58
PTK6 Q13882 1/20 0.58
RIPK3 Q9Y572 1/20 0.58
SRC P12931 1/20 0.57
DRD2 P14416 1/20 0.57
KDR P35968 1/20 0.57

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
SCHEMBL3134522 1.00 ERBB2 (0.65) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3129383 0.93 EGFR (0.64) ERBB2EGFRGAKRIPK2LYN
SCHEMBL6605775 0.93 EGFR (0.64) ERBB2EGFRGAKRIPK2LYN
SCHEMBL6609954 0.93 EGFR (0.64) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3121097 0.93 EGFR (0.64) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3121680 0.88 EGFR (0.66) ERBB2EGFRGAKRIPK2LYN
SCHEMBL6608889 0.88 EGFR (0.66) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3132214 0.88 ERBB2 (0.71) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4922965 0.88 ERBB2 (0.71) ERBB2EGFRGAKRIPK2LYN
SCHEMBL3127206 0.88 ERBB2 (0.71) ERBB2EGFRGAKRIPK2LYN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487806-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS Astrazeneca AB (SE) 2004-12-22 EP disclosed
WO-2003082831-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2003-10-09 WO disclosed