SCHEMBL2519145

SCHEMBL2519145

Cc1cc(Nc2cncc3[nH]nc(OCCN4CCOCC4)c23)ccc1OCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.59
ERBB2 P04626 13/20 0.58
GRM4 Q14833 5/20 0.46

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
SCHEMBL2537843 0.86 EGFR (0.60) EGFRERBB2
SCHEMBL2542585 0.85 ERBB2 (0.55) EGFRERBB2GRM4
SCHEMBL2544378 0.85 EGFR (0.51) EGFRERBB2GRM4
SCHEMBL2535974 0.85 EGFR (0.71) EGFRERBB2
SCHEMBL2519728 0.84 EGFR (0.57) EGFRERBB2
SCHEMBL2544297 0.84 EGFR (0.58) EGFRERBB2
SCHEMBL2542968 0.84 EGFR (0.71) EGFRERBB2
SCHEMBL1406312 0.84 EGFR (0.83) EGFRERBB2
SCHEMBL5518435 0.83 EGFR (0.71) EGFRERBB2
SCHEMBL2518340 0.82 ERBB2 (0.49) EGFRERBB2GRM4

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