SCHEMBL4031657

SCHEMBL4031657

CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5c(F)cccc5Cl)c(Cl)c4)c23)CC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.78
ERBB2 P04626 8/20 0.78
KCNH2 Q12809 1/20 0.74
SRC P12931 2/20 0.57

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
SCHEMBL4028477 0.97 EGFR (0.80) EGFRERBB2KCNH2SRC
SCHEMBL4029389 0.94 EGFR (0.81) EGFRERBB2KCNH2SRC
SCHEMBL4031385 0.91 EGFR (0.78) EGFRERBB2KCNH2SRC
SCHEMBL4027583 0.89 EGFR (0.72) EGFRERBB2KCNH2SRC
SCHEMBL4034373 0.89 EGFR (0.88) EGFRERBB2KCNH2SRC
SCHEMBL4034215 0.88 EGFR (0.84) EGFRERBB2KCNH2SRC
SCHEMBL4033788 0.88 EGFR (0.79) EGFRERBB2KCNH2SRC
SCHEMBL4031384 0.88 EGFR (0.70) EGFRERBB2KCNH2SRC
SCHEMBL4030332 0.88 EGFR (0.85) EGFRERBB2KCNH2SRC
SCHEMBL4040179 0.87 EGFR (1.00) EGFRERBB2KCNH2SRC

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-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed