SCHEMBL20156087

SCHEMBL20156087

CN1CCCc2ccc(CCN/C=C(\C=N)CNCCC(=O)O)nc21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.34
ITGAV P06756 2/20 0.34
FGFR4 P22455 5/20 0.32

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
SCHEMBL23912918 0.80 ITGB3 (0.56) ITGB3ITGAV
SCHEMBL13075500 0.75 ITGAV (0.43) ITGB3ITGAV
SCHEMBL20156098 0.73 CXCR4 (0.47) ITGB3ITGAV
SCHEMBL20156071 0.71 MPO (0.35) ITGAVFGFR4
SCHEMBL19766449 0.70 GRM1 (0.38) FGFR4
SCHEMBL20156331 0.67 MPO (0.37) ITGAVFGFR4
SCHEMBL20156351 0.67 MPO (0.35) ITGAVFGFR4
SCHEMBL19766448 0.65 GRM1 (0.40) FGFR4
SCHEMBL21340243 0.65 BRD4 (0.38)
SCHEMBL20156073 0.63 FGFR4 (0.34) ITGAVFGFR4

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-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed