SCHEMBL2543368

SCHEMBL2543368

OC[C@@H]1CCCN1CCOc1n[nH]c2cncc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.56
EGFR P00533 17/20 0.56
KCNH2 Q12809 1/20 0.45

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
SCHEMBL2496657 0.92 ERBB2 (0.56) ERBB2EGFR
SCHEMBL2542968 0.86 EGFR (0.71) ERBB2EGFRKCNH2
SCHEMBL5517462 0.86 ERBB2 (0.72) ERBB2EGFRKCNH2
SCHEMBL1406580 0.85 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL1406740 0.85 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL5518435 0.85 EGFR (0.71) ERBB2EGFRKCNH2
SCHEMBL2519281 0.85 ERBB2 (0.66) ERBB2EGFRKCNH2
SCHEMBL2539611 0.85 ERBB2 (0.67) ERBB2EGFRKCNH2
SCHEMBL2535974 0.84 EGFR (0.71) ERBB2EGFRKCNH2
SCHEMBL5520007 0.84 EGFR (0.65) ERBB2EGFRKCNH2

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