SCHEMBL9251669

SCHEMBL9251669

COC(=O)C1CCC(CN(C)c2ccc3nc(-c4ccc(C(=N)N)cc4)n(C)c3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 3/20 0.39
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
F2 P00734 3/20 0.34
F10 P00742 1/20 0.34
MELK Q14680 1/20 0.34
DYRK1A Q13627 1/20 0.34
DHFR P00374 1/20 0.34
FASN P49327 2/20 0.33
TPSAB1 Q15661 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
CHEK2 O96017 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32

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
SCHEMBL9256431 0.91 ITGB3 (0.38) TMPRSS15CYP1A2CYP2C9MELKDYRK1A
SCHEMBL9249043 0.87 TMPRSS15 (0.40) TMPRSS15CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9249034 0.83 TMPRSS15 (0.40) TMPRSS15CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9251663 0.81 TMPRSS15 (0.39) TMPRSS15CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9255137 0.80 TMPRSS15 (0.41) TMPRSS15CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9254810 0.74 VCP (0.41) ITGB3ITGA2B
SCHEMBL9251738 0.71 PADI4 (0.43) TMPRSS15ITGB3ITGA2B
SCHEMBL9255399 0.71 SCN9A (0.42) TMPRSS15F2F10CHEK2ITGB3
SCHEMBL9252818 0.70 ADORA3 (0.41) TMPRSS15CHEK2ITGB3ITGA2B
SCHEMBL9251783 0.68 TMPRSS15 (0.45) TMPRSS15CYP1A2CYP2C9F2F10

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