SCHEMBL20153712

SCHEMBL20153712

CCOC(=O)CC(Nc1cccc(CCCc2ccc3cccnc3n2)c1C=N)c1ccc(OC)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 8/20 0.35
OXGR1 Q96P68 1/20 0.35
ITGB3 P05106 6/20 0.35
ITGAV P06756 6/20 0.35
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 1/20 0.35
BDKRB1 P46663 1/20 0.33
ITGB6 P18564 1/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
ITGA2B P08514 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL23677941 0.84 ITGAV (0.54) ITGB3ITGAVITGB6ITGA2B
SCHEMBL20153460 0.79 SUCNR1 (0.39) SUCNR1OXGR1ITGB3ITGAVBDKRB1
SCHEMBL21311521 0.77 ITGB3 (0.38) SUCNR1OXGR1ITGB3ITGAVBDKRB1
SCHEMBL21282967 0.76 ITGB3 (0.35) SUCNR1OXGR1ITGB3ITGAVBDKRB1
SCHEMBL21311532 0.75 ITGB3 (0.44) SUCNR1OXGR1ITGB3ITGAVITGB6
SCHEMBL20140487 0.75 ITGB3 (0.39) SUCNR1OXGR1ITGB3ITGAVITGB6
SCHEMBL20153482 0.74 ITGB3 (0.40) SUCNR1OXGR1ITGB3ITGAVITGB6
SCHEMBL23559272 0.73 ITGB3 (0.42) SUCNR1OXGR1ITGB3ITGAVITGB6
SCHEMBL20158254 0.72 OPRM1 (0.39) ITGB3ITGAVKCNK3ITGA2B
SCHEMBL20153311 0.72 ITGB3 (0.36) SUCNR1OXGR1ITGB3ITGAVBDKRB1

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-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed