SCHEMBL9568428

SCHEMBL9568428

COC(=O)CCc1cn(-c2cc(C)c(-c3ccc(C(=N)N)cc3)nn2)cn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 8/20 0.34
GAA P10253 3/20 0.33
MAPT P10636 2/20 0.33
F10 P00742 5/20 0.32
F2 P00734 3/20 0.32
PRSS1 P07477 2/20 0.32
F9 P00740 1/20 0.32
F11 P03951 1/20 0.32
F7 P08709 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
NAMPT P43490 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
SCHEMBL9254757 0.90 ITGB3 (0.36) TMPRSS15MAPTF10F2PRSS1
SCHEMBL8863938 0.84 TMPRSS15 (0.36) TMPRSS15MAPTF10F2PRSS1
SCHEMBL9258214 0.82 TMPRSS15 (0.39) TMPRSS15F10F2PRSS1
SCHEMBL9259335 0.81 TMPRSS15 (0.41) TMPRSS15MAPTF10F2PRSS1
SCHEMBL9254755 0.80 MAP4K4 (0.38) TMPRSS15F10F2PRSS1F9
SCHEMBL9254271 0.80 SYK (0.33) TMPRSS15F10F2PRSS1
SCHEMBL9251133 0.79 TMPRSS15 (0.41) TMPRSS15F10F2PRSS1ITGB3
SCHEMBL9251525 0.79 MIF (0.37) TMPRSS15ITGB3ITGA2B
SCHEMBL9258001 0.78 TMPRSS15 (0.36) TMPRSS15MAPTF10F2PRSS1
SCHEMBL9256201 0.77 TMPRSS15 (0.35) TMPRSS15F10F2PRSS1ITGB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed