SCHEMBL9255926

SCHEMBL9255926

COC(=O)CCNC(=O)c1nc(N(C)C)c2c(n1)nc(-c1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 7/20 0.35
ITGB3 P05106 7/20 0.33
ITGA2B P08514 7/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F10 P00742 1/20 0.32
KDM5B Q9UGL1 1/20 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
SCHEMBL9255591 0.91 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL9253863 0.89 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BADORA2AADORA2B
SCHEMBL9256102 0.88 ITGB3 (0.37) TMPRSS15ITGB3ITGA2BADORA2AADORA2B
SCHEMBL9251162 0.88 TMPRSS15 (0.36) TMPRSS15ITGB3ITGA2BADORA2AADORA2B
SCHEMBL9255320 0.86 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9251469 0.83 TMPRSS15 (0.37) TMPRSS15ITGB3ITGA2BF10
SCHEMBL9255743 0.82 ITGB3 (0.40) TMPRSS15ITGB3ITGA2B
SCHEMBL9251097 0.81 TMPRSS15 (0.40) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9251145 0.80 MAPT (0.37) TMPRSS15ITGB3ITGA2BADORA2AADORA2B
SCHEMBL9251249 0.79 ITGB3 (0.42) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed