SCHEMBL2540002

SCHEMBL2540002

Cc1cc(Nc2nccc3[nH]nc(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.82
EGFR P00533 17/20 0.82

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
SCHEMBL2522725 0.92 ERBB2 (0.69) ERBB2EGFR
SCHEMBL2522164 0.91 ERBB2 (0.69) ERBB2EGFR
SCHEMBL1406477 0.90 ERBB2 (1.00) ERBB2EGFR
SCHEMBL2516578 0.86 EGFR (0.60) ERBB2EGFR
SCHEMBL1406625 0.83 ERBB2 (1.00) ERBB2EGFR
SCHEMBL1406778 0.83 ERBB2 (1.00) ERBB2EGFR
SCHEMBL1406725 0.82 ERBB2 (0.84) ERBB2EGFR
SCHEMBL1406415 0.82 ERBB2 (0.84) ERBB2EGFR
SCHEMBL2519205 0.82 ERBB2 (0.83) ERBB2EGFR
SCHEMBL1406793 0.82 ERBB2 (0.84) 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