SCHEMBL6605869

SCHEMBL6605869

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCC1CCCN1C(=O)CCl

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.68
ERBB2 P04626 5/20 0.63
EPHA2 P29317 2/20 0.62
EPHB4 P54760 2/20 0.62
KDR P35968 2/20 0.62
GAK O14976 1/20 0.61
RIPK2 O43353 1/20 0.61
LYN P07948 1/20 0.61
RET P07949 1/20 0.61
EPHA1 P21709 1/20 0.61
ERBB3 P21860 1/20 0.61
EPHB2 P29323 1/20 0.61
EPHA5 P54756 1/20 0.61
EPHA4 P54764 1/20 0.61
ADK P55263 1/20 0.61
PTK6 Q13882 1/20 0.61
RIPK3 Q9Y572 1/20 0.61
SRC P12931 1/20 0.60
DRD2 P14416 1/20 0.60

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
SCHEMBL3123266 1.00 EGFR (0.68) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL3129240 0.94 EGFR (0.74) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL6603848 0.94 EGFR (0.74) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL3126784 0.93 EGFR (0.67) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL6607570 0.93 EGFR (0.67) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL3129482 0.92 EGFR (0.70) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL3129181 0.92 EGFR (0.70) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL6606075 0.92 EGFR (0.70) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL6605015 0.92 EGFR (0.65) EGFRERBB2EPHA2EPHB4KDR
SCHEMBL6606493 0.92 ERBB2 (0.66) EGFRERBB2EPHA2EPHB4KDR

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