SCHEMBL9255901

SCHEMBL9255901

COC(=O)CN1CCN(c2ccc3nc(-c4ccc(C(=N)N)cc4)n(C)c3n2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
F10 P00742 7/20 0.33
F2 P00734 7/20 0.33
PLG P00747 4/20 0.33
BRD4 O60885 1/20 0.33
CHEK2 O96017 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9251234 0.91 ITGB3 (0.46) ITGB3ITGA2BF10BRD4ALOX15
SCHEMBL9255246 0.87 ITGB3 (0.35) ITGB3ITGA2BF10F2PLG
SCHEMBL9251738 0.82 PADI4 (0.43) ITGB3ITGA2B
SCHEMBL9252483 0.78 ITGB3 (0.44) ITGB3ITGA2BBRD4CHEK2ALOX15
SCHEMBL9253758 0.75 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL9251783 0.74 TMPRSS15 (0.45) ITGB3ITGA2BF10F2CHEK2
SCHEMBL9255399 0.71 SCN9A (0.42) ITGB3ITGA2BF10F2PLG
Hydrochloric Acid SCHEMBL8949290 0.70 ITGB3 (0.46) ITGB3ITGA2BF10F2
SCHEMBL9251312 0.66 TMPRSS15 (0.40) ITGB3ITGA2BF10SMN1; SMN2
SCHEMBL9255137 0.66 TMPRSS15 (0.41) ITGB3ITGA2BF10F2CHEK2

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