SCHEMBL4036771

SCHEMBL4036771

CN(C)CCN(C)CCCOc1cc(OC2CCOC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.73
ERBB2 P04626 5/20 0.53
SRC P12931 2/20 0.53
CIT O14578 1/20 0.53
GAK O14976 1/20 0.53
EPHB6 O15197 1/20 0.53
RIPK2 O43353 1/20 0.53
STK10 O94804 1/20 0.53
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53
CHRM2 P08172 1/20 0.53
MET P08581 1/20 0.53
HCK P08631 1/20 0.53
PHKG2 P15735 1/20 0.53
ADRA2B P18089 1/20 0.53
ERBB3 P21860 1/20 0.53
AXL P30530 1/20 0.53
CCKAR P32238 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
SCHEMBL4034377 0.96 EGFR (0.77) EGFRSRCKDR
SCHEMBL4040190 0.94 EGFR (0.73) EGFRERBB2ABL1RETERBB4
SCHEMBL4037588 0.94 EGFR (0.76) EGFRERBB2SRCABL1RET
SCHEMBL4039652 0.91 EGFR (0.70) EGFRERBB2SRCABL1RET
SCHEMBL4033830 0.91 EGFR (0.70) EGFRERBB2SRCCITGAK
SCHEMBL4037351 0.91 EGFR (0.74) EGFRERBB2ABL1RETERBB4
SCHEMBL4210837 0.90 EGFR (0.77) EGFRSRCKDR
SCHEMBL4034040 0.89 EGFR (0.83) EGFRSRCKDR
SCHEMBL4032404 0.89 EGFR (0.80) EGFRSRCKDR
SCHEMBL5663038 0.89 EGFR (0.75) EGFRSRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed