SCHEMBL6982396

SCHEMBL6982396

CCOC(=O)C(CNC(=O)CCC(=O)Nc1c(F)cc(C(=N)N)cc1F)n1ccnn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.35
ITGA2B P08514 7/20 0.35
TMPRSS15 P98073 2/20 0.33
GAA P10253 2/20 0.32
THRB P10828 1/20 0.32
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
NAMPT P43490 2/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6979019 0.80 ITGB3 (0.39) ITGB3ITGA2BGAATHRBF2
SCHEMBL9260366 0.74 PDK1 (0.40) ITGB3ITGA2BGAAF2F10
SCHEMBL6985138 0.67 ITGB3 (0.36) ITGB3ITGA2BTMPRSS15
SCHEMBL6983774 0.67 ADORA2A (0.40) ITGB3ITGA2BTMPRSS15F2F10
SCHEMBL6982101 0.66 F7 (0.39) ITGB3ITGA2BTMPRSS15F2F10
SCHEMBL9558537 0.66 ITGB3 (0.53) ITGB3ITGA2BF2F10ALDH1A1
SCHEMBL6982666 0.66 ADORA2A (0.41) ITGB3ITGA2BTMPRSS15GAAF2
SCHEMBL7421564 0.66 ITGB3 (0.50) ITGB3ITGA2BGAATSHR
SCHEMBL7347870 0.65 ITGB3 (0.57) ITGB3ITGA2BGAA
SCHEMBL7348941 0.65 ITGB3 (0.57) ITGB3ITGA2BGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed