SCHEMBL2539476

SCHEMBL2539476

CCN1CCN(CCOc2n[nH]c3cncc(Nc4ccc(OCc5cccc(F)c5)c(C)c4)c23)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.60
EGFR P00533 15/20 0.51
CSF1R P07333 2/20 0.39
KIT P10721 2/20 0.39

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
SCHEMBL2518340 0.92 ERBB2 (0.49) ERBB2EGFR
SCHEMBL2542639 0.87 ERBB2 (0.52) ERBB2EGFR
SCHEMBL2516362 0.87 ERBB2 (0.68) ERBB2EGFR
SCHEMBL1406435 0.84 ERBB2 (0.84) ERBB2EGFR
SCHEMBL2520617 0.84 ERBB2 (0.48) ERBB2EGFR
SCHEMBL2544081 0.83 ERBB2 (0.49) ERBB2EGFRCSF1RKIT
SCHEMBL2540445 0.83 ERBB2 (0.61) ERBB2EGFR
SCHEMBL2514960 0.83 ERBB2 (0.52) ERBB2EGFRCSF1R
SCHEMBL2542094 0.78 ERBB2 (0.53) ERBB2EGFR
SCHEMBL1406582 0.78 ERBB2 (0.85) 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 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