SCHEMBL4755241

SCHEMBL4755241

COCCOc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC1CCN(C(=O)C(C)O)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.70
ERBB2 P04626 13/20 0.68
RET P07949 3/20 0.64
RIPK2 O43353 2/20 0.64
EPHB2 P29323 2/20 0.64
EPHB4 P54760 2/20 0.64
EPHA4 P54764 2/20 0.64
RIPK3 Q9Y572 2/20 0.64
GAK O14976 1/20 0.64
LYN P07948 1/20 0.64
EPHA1 P21709 1/20 0.64
ERBB3 P21860 1/20 0.64
EPHA2 P29317 1/20 0.64
EPHA5 P54756 1/20 0.64
ADK P55263 1/20 0.64
PTK6 Q13882 1/20 0.64
ABL1 P00519 1/20 0.59
RAF1 P04049 1/20 0.59
LCK P06239 1/20 0.59
SRC P12931 1/20 0.59

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
SCHEMBL4081431 1.00 EGFR (0.70) EGFRERBB2RETRIPK2EPHB2
SCHEMBL4077611 0.92 EGFR (0.80) EGFRERBB2RETRIPK2EPHB2
SCHEMBL1382018 0.92 EGFR (0.80) EGFRERBB2RETRIPK2EPHB2
SCHEMBL4089078 0.92 EGFR (0.80) EGFRERBB2RETRIPK2EPHB2
SCHEMBL4089182 0.91 EGFR (0.67) EGFRERBB2RETRIPK2EPHB2
SCHEMBL5755439 0.90 EGFR (0.69) EGFRERBB2RETRIPK2EPHB2
SCHEMBL4087486 0.90 EGFR (0.69) EGFRERBB2RETRIPK2EPHB2
SCHEMBL4085901 0.88 EGFR (0.67) EGFRERBB2RETRIPK2EPHB2
SCHEMBL5788054 0.88 EGFR (0.67) EGFRERBB2RETRIPK2EPHB2
SCHEMBL5756329 0.88 ERBB2 (0.63) EGFRERBB2RETRIPK2EPHB2

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-1667991-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-14 EP disclosed
EP-1667991-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2006-06-14 EP disclosed
WO-2005026150-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed