SCHEMBL4040190

SCHEMBL4040190

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

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.73
ERBB2 P04626 4/20 0.55
ABL1 P00519 1/20 0.55
RET P07949 1/20 0.55
ERBB4 Q15303 1/20 0.55

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
SCHEMBL4037351 0.96 EGFR (0.74) EGFRERBB2ABL1RETERBB4
SCHEMBL4210837 0.96 EGFR (0.77) EGFR
SCHEMBL4036771 0.94 EGFR (0.73) EGFRERBB2ABL1RETERBB4
SCHEMBL4037588 0.94 EGFR (0.76) EGFRERBB2ABL1RETERBB4
SCHEMBL4035819 0.92 EGFR (0.78) EGFRABL1RET
SCHEMBL4033830 0.91 EGFR (0.70) EGFRERBB2ABL1RETERBB4
SCHEMBL4039652 0.91 EGFR (0.70) EGFRERBB2ABL1RETERBB4
SCHEMBL4034377 0.90 EGFR (0.77) EGFR
SCHEMBL4034040 0.89 EGFR (0.83) EGFR
SCHEMBL4032404 0.89 EGFR (0.80) EGFR

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