SCHEMBL9251249

SCHEMBL9251249

Cn1c(-c2ccc(C(=N)N)cc2)nc2nc(C(=O)NCCC(=O)O)nc(N)c21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.42
ITGA2B P08514 19/20 0.42
ITGB2 P05107 2/20 0.39
ITGAM P11215 2/20 0.39
ITGAV P06756 1/20 0.38

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
SCHEMBL9256102 0.91 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL9245396 0.90 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9255743 0.88 ITGB3 (0.40) ITGB3ITGA2BITGB2ITGAMITGAV
SCHEMBL9255591 0.88 ITGB3 (0.40) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9256518 0.85 ITGB3 (0.40) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9255479 0.85 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAMITGAV
SCHEMBL9248894 0.83 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAMITGAV
SCHEMBL9251162 0.81 TMPRSS15 (0.36) ITGB3ITGA2B
SCHEMBL9245380 0.81 ITGB3 (0.41) ITGB3ITGA2BITGB2ITGAM
SCHEMBL9253863 0.80 TMPRSS15 (0.35) 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