SCHEMBL9256102

SCHEMBL9256102

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.37
ITGA2B P08514 10/20 0.37
TMPRSS15 P98073 5/20 0.37
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BTK Q06187 1/20 0.34
F10 P00742 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
SCHEMBL9251162 0.91 TMPRSS15 (0.36) ITGB3ITGA2BTMPRSS15ADORA2AADORA2B
SCHEMBL9251249 0.91 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL9253863 0.90 TMPRSS15 (0.35) ITGB3ITGA2BTMPRSS15ADORA2AADORA2B
SCHEMBL9255926 0.88 TMPRSS15 (0.35) ITGB3ITGA2BTMPRSS15ADORA2AADORA2B
SCHEMBL9251469 0.85 TMPRSS15 (0.37) ITGB3ITGA2BTMPRSS15F10
SCHEMBL9252066 0.85 TMPRSS15 (0.36) ITGB3ITGA2BTMPRSS15ADORA2AADORA2B
SCHEMBL9251097 0.83 TMPRSS15 (0.40) ITGB3ITGA2BTMPRSS15MAPTSMN1; SMN2
SCHEMBL9255743 0.83 ITGB3 (0.40) ITGB3ITGA2BTMPRSS15
SCHEMBL9251145 0.82 MAPT (0.37) ITGB3ITGA2BTMPRSS15ADORA2AADORA2B
SCHEMBL9245396 0.81 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