SCHEMBL4030822

SCHEMBL4030822

Clc1cc(Nc2ncnc3cccc(OC4CCOC4)c23)ccc1Oc1ncccn1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.69
ERBB2 P04626 7/20 0.69
KCNH2 Q12809 1/20 0.56
SRC P12931 1/20 0.56
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
SCHEMBL4029165 0.87 ERBB2 (0.91) EGFRERBB2KCNH2
SCHEMBL4030886 0.86 EGFR (0.63) EGFRERBB2KCNH2SRCEPHA2
SCHEMBL4034391 0.86 EGFR (0.75) EGFRERBB2SRC
SCHEMBL4028351 0.84 EGFR (0.81) EGFRERBB2KCNH2SRC
Hydrochloric Acid SCHEMBL5490668 0.84 EGFR (0.79) EGFRERBB2KCNH2SRC
SCHEMBL4028270 0.83 EGFR (0.75) EGFRERBB2KCNH2
SCHEMBL5478362 0.81 ERBB2 (1.00) EGFRERBB2KCNH2
SCHEMBL4028216 0.80 EGFR (0.70) EGFRERBB2KCNH2SRCEPHA2
SCHEMBL4036090 0.80 EGFR (0.77) EGFRERBB2KCNH2SRC
SCHEMBL4038102 0.79 EGFR (0.56) EGFRERBB2KCNH2SRCEPHA2

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