SCHEMBL9254049

SCHEMBL9254049

Cn1c(-c2ccc(C(=N)N)cc2)nc2cc(C(=O)NCCC(=O)O)cc(F)c21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.43
ITGA2B P08514 11/20 0.43
F2 P00734 7/20 0.41
PADI4 Q9UM07 1/20 0.40

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
SCHEMBL9246065 0.91 TMPRSS15 (0.39) ITGB3ITGA2BF2PADI4
SCHEMBL9249490 0.84 HDAC1 (0.56) ITGB3ITGA2BF2
SCHEMBL9252708 0.82 CHEK2 (0.51) ITGB3ITGA2BF2
SCHEMBL9252486 0.82 ITGB3 (0.43) ITGB3ITGA2BF2
Bromide SCHEMBL9254604 0.81 ITGB3 (0.43) ITGB3ITGA2BF2
SCHEMBL9249572 0.79 ITGB3 (0.56) ITGB3ITGA2BF2
SCHEMBL9256145 0.79 F2 (0.49) ITGB3ITGA2BF2
SCHEMBL9255433 0.78 JAK2 (0.50) ITGB3ITGA2B
SCHEMBL9252571 0.77 ITGB3 (0.45) ITGB3ITGA2BF2
SCHEMBL9252280 0.77 ITGB3 (0.45) ITGB3ITGA2BF2

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