SCHEMBL2514409

SCHEMBL2514409

O=C1OCCN1CCOc1n[nH]c2ccnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.65
ERBB2 P04626 18/20 0.63
KCNH2 Q12809 2/20 0.47

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
SCHEMBL1406607 0.91 EGFR (0.77) EGFRERBB2KCNH2
SCHEMBL2522758 0.90 EGFR (0.67) EGFRERBB2KCNH2
SCHEMBL2538841 0.88 ERBB2 (0.67) EGFRERBB2KCNH2
SCHEMBL2519205 0.85 ERBB2 (0.83) EGFRERBB2KCNH2
SCHEMBL2514377 0.83 ERBB2 (0.67) EGFRERBB2
SCHEMBL2518693 0.83 ERBB2 (0.67) EGFRERBB2
SCHEMBL2523722 0.82 ERBB2 (0.79) EGFRERBB2
SCHEMBL1406506 0.81 EGFR (0.79) EGFRERBB2KCNH2
SCHEMBL2515600 0.79 EGFR (0.68) EGFRERBB2
SCHEMBL1406409 0.79 ERBB2 (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838712-B8 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-10-12 EP disclosed
EP-1838712-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006064196-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed