SCHEMBL9253863

SCHEMBL9253863

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 6/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ITGB3 P05106 6/20 0.34
ITGA2B P08514 6/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
F10 P00742 2/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL9255743 0.93 ITGB3 (0.40) TMPRSS15ITGB3ITGA2BPRSS1
SCHEMBL9256102 0.90 ITGB3 (0.37) TMPRSS15ADORA2AADORA2BITGB3ITGA2B
SCHEMBL9251162 0.90 TMPRSS15 (0.36) TMPRSS15ADORA2AADORA2BITGB3ITGA2B
SCHEMBL9255926 0.89 TMPRSS15 (0.35) TMPRSS15ADORA2AADORA2BITGB3ITGA2B
SCHEMBL9246322 0.85 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9251469 0.85 TMPRSS15 (0.37) TMPRSS15ITGB3ITGA2BF10F2
SCHEMBL9251097 0.83 TMPRSS15 (0.40) TMPRSS15ITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL9251145 0.81 MAPT (0.37) TMPRSS15ADORA2AADORA2BITGB3ITGA2B
SCHEMBL9251249 0.80 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL9245396 0.80 ITGB3 (0.41) ITGB3ITGA2BF10

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