SCHEMBL1940911

SCHEMBL1940911

COc1ccc(CNC(=O)Nc2cccc(C(=O)c3cn(C4CCCC4)c4ncnc(N)c34)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.68
ERBB2 P04626 8/20 0.68
ERBB3 P21860 8/20 0.68
ERBB4 Q15303 8/20 0.68
TEK Q02763 7/20 0.68
KDR P35968 1/20 0.66
RET P07949 3/20 0.54
SRC P12931 3/20 0.48
ABL1 P00519 2/20 0.48
ABL2 P42684 2/20 0.48
RIPK2 O43353 3/20 0.48
PDGFRB P09619 1/20 0.48
ITK Q08881 1/20 0.47
BTK Q06187 1/20 0.46

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
SCHEMBL1941466 0.92 EGFR (0.72) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941236 0.91 EGFR (0.81) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940341 0.91 EGFR (0.73) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940581 0.90 EGFR (0.74) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940386 0.89 EGFR (0.71) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941801 0.89 EGFR (0.77) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940508 0.88 EGFR (0.71) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941726 0.88 EGFR (0.76) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941018 0.87 EGFR (0.73) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941838 0.87 EGFR (0.76) 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