SCHEMBL2544378

SCHEMBL2544378

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.51
ERBB2 P04626 17/20 0.51
GRM4 Q14833 1/20 0.39
ERBB3 P21860 1/20 0.37
ERBB4 Q15303 1/20 0.37
STK4 Q13043 1/20 0.36

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
SCHEMBL2542585 0.92 ERBB2 (0.55) EGFRERBB2GRM4STK4
SCHEMBL2520799 0.91 ERBB2 (0.57) EGFRERBB2GRM4ERBB3ERBB4
SCHEMBL2520501 0.87 ERBB2 (0.57) EGFRERBB2GRM4ERBB3ERBB4
SCHEMBL2519145 0.85 EGFR (0.59) EGFRERBB2GRM4
SCHEMBL2516578 0.84 EGFR (0.60) EGFRERBB2GRM4ERBB3ERBB4
SCHEMBL2544330 0.83 ERBB2 (0.69) EGFRERBB2GRM4ERBB3ERBB4
SCHEMBL2544657 0.82 ERBB2 (0.62) EGFRERBB2ERBB3ERBB4
SCHEMBL2537457 0.82 ERBB2 (0.53) EGFRERBB2
SCHEMBL1406528 0.81 ERBB2 (0.74) EGFRERBB2
SCHEMBL2535974 0.80 EGFR (0.71) 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