SCHEMBL1940112

SCHEMBL1940112

Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3cn(C4CCCC4)c4ncnc(N)c34)c2)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.71
ERBB2 P04626 8/20 0.71
ERBB3 P21860 8/20 0.71
ERBB4 Q15303 8/20 0.71
TEK Q02763 7/20 0.71
KDR P35968 1/20 0.59
EIF2AK3 Q9NZJ5 7/20 0.47
PDGFRB P09619 1/20 0.46
RET P07949 4/20 0.45
LCK P06239 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL1942626 0.98 EGFR (0.68) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1942846 0.93 EGFR (0.74) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940782 0.91 EGFR (0.78) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941017 0.90 EGFR (0.76) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940006 0.90 EGFR (0.76) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941719 0.90 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1942513 0.89 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940306 0.89 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940657 0.89 EGFR (0.76) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940507 0.89 EGFR (0.81) EGFRERBB2ERBB3ERBB4TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578751-B1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PROD INC (US) 2011-06-15 EP disclosed