SCHEMBL4028930

SCHEMBL4028930

Cc1nc(COc2ccc(Nc3ncnc4cccc(OC5CCN(C)CC5)c34)cc2Cl)cs1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.78
ERBB2 P04626 11/20 0.75
KCNH2 Q12809 2/20 0.75
SRC P12931 2/20 0.55
EPHA2 P29317 2/20 0.51
KDR P35968 2/20 0.51
EPHB4 P54760 2/20 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
SCHEMBL5476887 0.92 EGFR (0.77) EGFRERBB2KCNH2SRCEPHA2
Hydrochloric Acid SCHEMBL4031718 0.91 EGFR (0.76) EGFRERBB2KCNH2SRCEPHA2
SCHEMBL4031310 0.88 EGFR (0.71) EGFRERBB2KCNH2SRCEPHA2
SCHEMBL4027906 0.88 EGFR (1.00) EGFRERBB2KCNH2SRCEPHA2
SCHEMBL4029389 0.87 EGFR (0.81) EGFRERBB2KCNH2SRC
SCHEMBL4031400 0.87 EGFR (0.76) EGFRERBB2KCNH2SRC
SCHEMBL4030839 0.87 EGFR (0.79) EGFRERBB2KCNH2SRC
SCHEMBL4028058 0.86 EGFR (0.78) EGFRERBB2KCNH2SRCEPHA2
SCHEMBL4034532 0.86 EGFR (0.78) EGFRERBB2KCNH2SRC
SCHEMBL4030934 0.86 ERBB2 (1.00) EGFRERBB2KCNH2

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