SCHEMBL2518693

SCHEMBL2518693

ClCCCOc1n[nH]c2ccnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.67
EGFR P00533 17/20 0.67
ERBB3 P21860 1/20 0.53
ERBB4 Q15303 1/20 0.53
GRM4 Q14833 1/20 0.50

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
SCHEMBL2514377 0.96 ERBB2 (0.67) ERBB2EGFRERBB3ERBB4GRM4
SCHEMBL2523722 0.92 ERBB2 (0.79) ERBB2EGFRERBB3ERBB4
SCHEMBL1406697 0.88 ERBB2 (0.85) ERBB2EGFRERBB3ERBB4
SCHEMBL2516578 0.88 EGFR (0.60) ERBB2EGFRERBB3ERBB4GRM4
SCHEMBL2519205 0.87 ERBB2 (0.83) ERBB2EGFRERBB3ERBB4
SCHEMBL2520501 0.85 ERBB2 (0.57) ERBB2EGFRERBB3ERBB4GRM4
SCHEMBL1406427 0.85 ERBB2 (0.85) ERBB2EGFRERBB3ERBB4
SCHEMBL2538841 0.84 ERBB2 (0.67) ERBB2EGFR
SCHEMBL2514409 0.83 EGFR (0.65) ERBB2EGFR
SCHEMBL2519281 0.83 ERBB2 (0.66) 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