SCHEMBL2520595

SCHEMBL2520595

OCCOc1n[nH]c2cncc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.52
EGFR P00533 18/20 0.51
ERBB3 P21860 1/20 0.47
ERBB4 Q15303 1/20 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
SCHEMBL2542094 0.93 ERBB2 (0.53) ERBB2EGFRERBB3ERBB4
SCHEMBL2542639 0.90 ERBB2 (0.52) ERBB2EGFR
SCHEMBL1406731 0.82 ERBB2 (0.74) ERBB2EGFRERBB3ERBB4
SCHEMBL2538192 0.80 ERBB2 (0.42) ERBB2EGFR
SCHEMBL2544081 0.80 ERBB2 (0.49) ERBB2EGFRERBB3ERBB4
SCHEMBL2544657 0.79 ERBB2 (0.62) ERBB2EGFRERBB3ERBB4
SCHEMBL2546738 0.79 EGFR (0.49) ERBB2EGFRERBB4
SCHEMBL2520617 0.79 ERBB2 (0.48) ERBB2EGFR
SCHEMBL2520931 0.78 EGFR (0.48) ERBB2EGFRERBB4
SCHEMBL2539476 0.78 ERBB2 (0.60) ERBB2EGFR

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 6 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
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