SCHEMBL9249665

SCHEMBL9249665

COC(=O)CCNC(=O)c1cnc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 3/20 0.42
NAMPT P43490 2/20 0.41
F10 P00742 2/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
RIPK2 O43353 1/20 0.37
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CLK2 P49760 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
F2 P00734 1/20 0.36
ADORA2A P29274 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
SCHEMBL9252486 0.91 ITGB3 (0.43) NAMPTF10ITGB3ITGA2BHDAC1
Bromide SCHEMBL9254604 0.90 ITGB3 (0.43) NAMPTF10ITGB3ITGA2BHDAC1
SCHEMBL8863519 0.86 HDAC1 (0.52) TMPRSS15NAMPTMAPTSMN1; SMN2NPC1
SCHEMBL9251312 0.85 TMPRSS15 (0.40) TMPRSS15NAMPTF10MAPTSMN1; SMN2
SCHEMBL9250822 0.85 ADORA2A (0.46) ADORA2A
Hydrochloric Acid SCHEMBL9255053 0.85 HDAC1 (0.51) TMPRSS15NAMPTMAPTSMN1; SMN2NPC1
SCHEMBL9254880 0.84 CHEK2 (0.49) TMPRSS15F10MAPTSMN1; SMN2NPC1
SCHEMBL9246065 0.83 TMPRSS15 (0.39) TMPRSS15NAMPTF10MAPTSMN1; SMN2
SCHEMBL9571166 0.83 HDAC1 (0.40) TMPRSS15NAMPTF10MAPTSMN1; SMN2
SCHEMBL9252530 0.80 PTGER4 (0.51) RIPK2

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