SCHEMBL9252483

SCHEMBL9252483

Cn1c(-c2ccc(C(=N)N)cc2)nc2ccc(N3CCN(CC(=O)O)CC3)nc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.44
ITGA2B P08514 13/20 0.44
ALOX15 P16050 1/20 0.43
BRD4 O60885 1/20 0.38
KCNH2 Q12809 1/20 0.36
CHEK2 O96017 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL9255246 0.90 ITGB3 (0.35) ITGB3ITGA2BALOX15BRD4CHEK2
SCHEMBL9251234 0.86 ITGB3 (0.46) ITGB3ITGA2BALOX15BRD4NQO2
SCHEMBL9253758 0.85 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL9251783 0.83 TMPRSS15 (0.45) ITGB3ITGA2BCHEK2NQO2
SCHEMBL9251738 0.79 PADI4 (0.43) ITGB3ITGA2B
SCHEMBL9255901 0.78 ITGB3 (0.39) ITGB3ITGA2BALOX15BRD4CHEK2
SCHEMBL7381654 0.76 UBE2T (0.51) ITGB3ITGA2BALOX15KCNH2
SCHEMBL8949376 0.75 ITGB3 (0.51) ITGB3ITGA2BALOX15
SCHEMBL7358257 0.72 ITGB3 (0.71) ITGB3ITGA2BALOX15
SCHEMBL9255399 0.71 SCN9A (0.42) ITGB3ITGA2BCHEK2

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