SCHEMBL4035880

SCHEMBL4035880

CN(C)CCN(C)CCOc1cc(OC2CCN(C)CC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.75
SRC P12931 3/20 0.54
ERBB2 P04626 3/20 0.53
KCNH2 Q12809 1/20 0.50

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
SCHEMBL4208330 0.96 EGFR (0.74) EGFRSRCERBB2KCNH2
SCHEMBL4037419 0.94 EGFR (0.77) EGFRSRCERBB2KCNH2
SCHEMBL4045999 0.94 EGFR (0.75) EGFRSRCERBB2KCNH2
SCHEMBL4040120 0.90 EGFR (0.74) EGFRSRCERBB2KCNH2
SCHEMBL4034340 0.90 EGFR (0.83) EGFRSRCERBB2KCNH2
SCHEMBL4036009 0.89 EGFR (0.81) EGFRSRCERBB2KCNH2
SCHEMBL4032103 0.89 EGFR (0.72) EGFRSRCERBB2KCNH2
SCHEMBL4036214 0.88 EGFR (0.83) EGFRSRCERBB2KCNH2
SCHEMBL4036496 0.88 EGFR (0.82) EGFRSRCERBB2
SCHEMBL4034377 0.87 EGFR (0.77) EGFRSRC

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