SCHEMBL2516362

SCHEMBL2516362

CCN1CCN(CCOc2n[nH]c3ccnc(Nc4ccc(OCc5cccc(F)c5)c(C)c4)c23)CC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.68
EGFR P00533 17/20 0.57

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
SCHEMBL1406435 0.89 ERBB2 (0.84) ERBB2EGFR
SCHEMBL2539476 0.87 ERBB2 (0.60) ERBB2EGFR
SCHEMBL2524547 0.85 ERBB2 (0.65) ERBB2EGFR
SCHEMBL1406582 0.84 ERBB2 (0.85) ERBB2EGFR
SCHEMBL2535830 0.84 EGFR (0.57) ERBB2EGFR
SCHEMBL2542118 0.83 ERBB2 (0.82) ERBB2EGFR
SCHEMBL5507894 0.83 ERBB2 (0.83) ERBB2EGFR
SCHEMBL2522164 0.82 ERBB2 (0.69) ERBB2EGFR
SCHEMBL1406327 0.82 ERBB2 (0.85) ERBB2EGFR
SCHEMBL1406586 0.81 ERBB2 (1.00) 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 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