SCHEMBL2537620

SCHEMBL2537620

CCc1cc(Nc2cncc3[nH]nc(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.61
EGFR P00533 17/20 0.61

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
SCHEMBL2544297 0.92 EGFR (0.58) ERBB2EGFR
SCHEMBL2519728 0.92 EGFR (0.57) ERBB2EGFR
SCHEMBL5517462 0.90 ERBB2 (0.72) ERBB2EGFR
SCHEMBL2539611 0.86 ERBB2 (0.67) ERBB2EGFR
SCHEMBL2537457 0.86 ERBB2 (0.53) ERBB2EGFR
SCHEMBL1406725 0.84 ERBB2 (0.84) ERBB2EGFR
SCHEMBL2537843 0.83 EGFR (0.60) ERBB2EGFR
SCHEMBL2535974 0.83 EGFR (0.71) ERBB2EGFR
SCHEMBL2535036 0.83 ERBB2 (0.43) ERBB2EGFR
SCHEMBL2540445 0.82 ERBB2 (0.61) 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