SCHEMBL2544081

SCHEMBL2544081

Cc1cc(Nc2cncc3[nH]nc(OCCCS(=O)(=O)O)c23)ccc1OCc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.49
EGFR P00533 15/20 0.41
MRGPRX4 Q96LA9 1/20 0.38
CSF1R P07333 1/20 0.37
KIT P10721 1/20 0.37
SGMS2 Q8NHU3 1/20 0.36
ERBB3 P21860 1/20 0.36
ERBB4 Q15303 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
SCHEMBL2546738 0.92 EGFR (0.49) ERBB2EGFRCSF1RKITERBB4
SCHEMBL2542809 0.92 CTSV (0.39) ERBB2EGFRCSF1RKITSGMS2
SCHEMBL2542639 0.89 ERBB2 (0.52) ERBB2EGFRMRGPRX4SGMS2
SCHEMBL2520617 0.89 ERBB2 (0.48) ERBB2EGFRMRGPRX4
SCHEMBL2539476 0.83 ERBB2 (0.60) ERBB2EGFRCSF1RKIT
SCHEMBL2520931 0.81 EGFR (0.48) ERBB2EGFRCSF1RKITERBB4
SCHEMBL2538192 0.80 ERBB2 (0.42) ERBB2EGFRSGMS2
SCHEMBL2520595 0.80 ERBB2 (0.52) ERBB2EGFRERBB3ERBB4
SCHEMBL2542094 0.79 ERBB2 (0.53) ERBB2EGFRERBB3ERBB4
SCHEMBL2540117 0.77 EGFR (0.48) 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 disclosed
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