SCHEMBL4037323

SCHEMBL4037323

CN1CCC(Oc2cc(OCCCN3CCN(C)CC3)cc3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.89
SRC P12931 8/20 0.63
KDR P35968 5/20 0.63
ERBB2 P04626 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
SCHEMBL4031574 0.97 EGFR (0.84) EGFRSRCKDR
SCHEMBL4037082 0.96 EGFR (0.82) EGFRSRCKDR
SCHEMBL4036496 0.96 EGFR (0.82) EGFRSRCKDRERBB2
SCHEMBL4041440 0.95 EGFR (0.81) EGFRSRCKDRERBB2
SCHEMBL4031704 0.95 EGFR (0.81) EGFRSRCKDR
SCHEMBL4032417 0.95 EGFR (0.81) EGFRSRCKDR
SCHEMBL4033873 0.94 EGFR (0.89) EGFRSRCKDRERBB2
SCHEMBL4035967 0.94 EGFR (1.00) EGFRSRCKDR
SCHEMBL4034424 0.94 EGFR (0.84) EGFRSRCKDR
SCHEMBL4037338 0.93 EGFR (0.78) EGFRSRCKDRERBB2

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