SCHEMBL6806739

SCHEMBL6806739

O=C(O)CC(NC(=O)OCc1ccccc1)n1cnc2c(Sc3cccc(NC(=O)NCc4ccccc4)c3)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.40
ITGAV P06756 11/20 0.40
MAPT P10636 1/20 0.39
KDR P35968 2/20 0.39
RET P07949 1/20 0.37
PPARG P37231 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL7060984 0.91 MAPT (0.37) ITGB3ITGAVMAPTKDRRET
SCHEMBL6807083 0.86 CASP1 (0.37)
SCHEMBL4641344 0.84 ITGB3 (0.48) ITGB3ITGAVMAPTKDRRET
SCHEMBL4641533 0.81 ITGB3 (0.42) ITGB3ITGAVMAPTKDRRET
SCHEMBL6807305 0.77 SYK (0.36)
SCHEMBL6806677 0.74 CDK1 (0.48) ITGB3ITGAV
SCHEMBL6802305 0.73 CDK1 (0.51)
SCHEMBL6804208 0.73 CDK1 (0.49) ITGB3ITGAV
SCHEMBL6804912 0.69 ITGB3 (0.45) ITGB3ITGAV
SCHEMBL6811105 0.69 CNR1 (0.44) ITGB3ITGAV

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
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed