SCHEMBL2544330

SCHEMBL2544330

CNCCOc1n[nH]c2cncc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.69
EGFR P00533 15/20 0.69
ERBB3 P21860 1/20 0.45
ERBB4 Q15303 1/20 0.45
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
KCNH2 Q12809 1/20 0.42
GRM4 Q14833 1/20 0.42

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
SCHEMBL2520501 0.91 ERBB2 (0.57) ERBB2EGFRERBB3ERBB4GRM4
SCHEMBL2520799 0.91 ERBB2 (0.57) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL5531018 0.90 ERBB2 (0.59) ERBB2EGFRERBB3ERBB4
SCHEMBL2544657 0.89 ERBB2 (0.62) ERBB2EGFRERBB3ERBB4
SCHEMBL2535974 0.87 EGFR (0.71) ERBB2EGFRKCNH2
SCHEMBL2520860 0.86 ERBB2 (0.57) ERBB2EGFRKCNH2
SCHEMBL2542968 0.86 EGFR (0.71) ERBB2EGFRSTK3KCNH2
SCHEMBL5520007 0.85 EGFR (0.65) ERBB2EGFRSTK3KCNH2
SCHEMBL5518435 0.84 EGFR (0.71) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL2517249 0.84 EGFR (0.54) ERBB2EGFRERBB3ERBB4KCNH2

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 claimed
EP-1838712-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006064196-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-06-22 WO claimed