SCHEMBL4035336

SCHEMBL4035336

COc1ccccc1COc1ccc(Nc2ncnc3cccc(OC4CCN(C)CC4)c23)cc1Cl

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.84
ERBB2 P04626 10/20 0.84
KCNH2 Q12809 1/20 0.80
SRC P12931 4/20 0.62
EPHA2 P29317 1/20 0.51
KDR P35968 1/20 0.51
EPHB4 P54760 1/20 0.51

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
SCHEMBL4033788 0.94 EGFR (0.79) EGFRERBB2KCNH2SRC
SCHEMBL4031385 0.91 EGFR (0.78) EGFRERBB2KCNH2SRC
SCHEMBL4033716 0.91 EGFR (0.76) EGFRERBB2KCNH2SRCEPHA2
SCHEMBL4028960 0.90 EGFR (0.74) EGFRERBB2KCNH2SRC
SCHEMBL4030934 0.89 ERBB2 (1.00) EGFRERBB2KCNH2
SCHEMBL4029389 0.88 EGFR (0.81) EGFRERBB2KCNH2SRC
SCHEMBL4030332 0.88 EGFR (0.85) EGFRERBB2KCNH2SRC
SCHEMBL4028004 0.88 EGFR (0.71) EGFRERBB2KCNH2SRC
Hydrochloric Acid SCHEMBL5475625 0.88 EGFR (0.83) EGFRERBB2KCNH2SRC
SCHEMBL4036935 0.87 EGFR (0.73) 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