SCHEMBL2535830

SCHEMBL2535830

Cc1cc(Nc2nccc3[nH]nc(OCCN4CCOCC4)c23)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.57
ERBB2 P04626 15/20 0.55
GRM4 Q14833 4/20 0.51

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
SCHEMBL2522164 0.89 ERBB2 (0.69) EGFRERBB2GRM4
SCHEMBL1406488 0.89 ERBB2 (0.68) EGFRERBB2
SCHEMBL1406500 0.86 ERBB2 (0.65) EGFRERBB2
SCHEMBL2516362 0.84 ERBB2 (0.68) EGFRERBB2
SCHEMBL2522725 0.83 ERBB2 (0.69) EGFRERBB2GRM4
SCHEMBL2515600 0.82 EGFR (0.68) EGFRERBB2GRM4
SCHEMBL1406402 0.81 ERBB2 (0.71) EGFRERBB2
SCHEMBL1406375 0.81 ERBB2 (0.70) EGFRERBB2
SCHEMBL1406312 0.81 EGFR (0.83) EGFRERBB2
SCHEMBL2540002 0.80 ERBB2 (0.82) EGFRERBB2

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