SCHEMBL5520007

SCHEMBL5520007

Clc1cc(Nc2cncc3[nH]nc(OCCCN4CCCC4)c23)ccc1OCc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.65
ERBB2 P04626 16/20 0.65
STK3 Q13188 2/20 0.46
KCNH2 Q12809 1/20 0.44

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
SCHEMBL2542968 0.96 EGFR (0.71) EGFRERBB2STK3KCNH2
SCHEMBL2535974 0.91 EGFR (0.71) EGFRERBB2KCNH2
SCHEMBL2523859 0.91 EGFR (0.68) EGFRERBB2STK3
SCHEMBL5518435 0.90 EGFR (0.71) EGFRERBB2KCNH2
SCHEMBL2520501 0.89 ERBB2 (0.57) EGFRERBB2
SCHEMBL5517462 0.88 ERBB2 (0.72) EGFRERBB2KCNH2
SCHEMBL2544657 0.87 ERBB2 (0.62) EGFRERBB2
SCHEMBL2520799 0.87 ERBB2 (0.57) EGFRERBB2KCNH2
SCHEMBL2537843 0.87 EGFR (0.60) EGFRERBB2
SCHEMBL2545981 0.87 ERBB2 (0.56) EGFRERBB2KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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