SCHEMBL5317684

SCHEMBL5317684

CON=CCc1ccc(Nc2ncnc(N)c2C=NOC)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.60
ERBB2 P04626 14/20 0.60
KDR P35968 2/20 0.44
RET P07949 1/20 0.42
FLT3 P36888 1/20 0.41

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
SCHEMBL1095343 0.88 EGFR (0.62) EGFRERBB2KDR
SCHEMBL1105401 0.88 EGFR (0.62) EGFRERBB2KDR
SCHEMBL5321400 0.87 EGFR (0.70) EGFRERBB2
SCHEMBL1094549 0.84 EGFR (0.58) EGFRERBB2KDR
SCHEMBL1109052 0.84 EGFR (0.58) EGFRERBB2KDR
SCHEMBL1105352 0.84 EGFR (0.58) EGFRERBB2KDR
SCHEMBL4737217 0.83 EGFR (0.57) EGFRERBB2KDR
SCHEMBL1105378 0.83 EGFR (0.71) EGFRERBB2KDR
SCHEMBL1095766 0.83 EGFR (0.65) EGFRERBB2KDRRET
SCHEMBL1105383 0.83 EGFR (0.75) EGFRERBB2KDRRETFLT3

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
WO-2007081630-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 WO disclosed