SCHEMBL9249043

SCHEMBL9249043

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 4/20 0.40
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
F2 P00734 4/20 0.36
F10 P00742 2/20 0.36
CHEK2 O96017 1/20 0.34
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
FASN P49327 1/20 0.33
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
ADORA2A P29274 1/20 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
SCHEMBL9251669 0.87 TMPRSS15 (0.39) TMPRSS15ITGB3ITGA2BCYP1A2CYP3A4
SCHEMBL9255137 0.82 TMPRSS15 (0.41) TMPRSS15ITGB3ITGA2BCYP1A2CYP3A4
SCHEMBL9249034 0.80 TMPRSS15 (0.40) TMPRSS15CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9251663 0.78 TMPRSS15 (0.39) TMPRSS15ITGB3ITGA2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8949354 0.77 ITGB3 (0.41) TMPRSS15ITGB3ITGA2BF2F10
SCHEMBL9256431 0.77 ITGB3 (0.38) TMPRSS15ITGB3ITGA2BCYP1A2CYP2C9
SCHEMBL9255399 0.73 SCN9A (0.42) TMPRSS15ITGB3ITGA2BF2F10
SCHEMBL9252818 0.72 ADORA3 (0.41) TMPRSS15ITGB3ITGA2BCHEK2ADORA3
SCHEMBL9254810 0.70 VCP (0.41) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8887529 0.70 F2 (0.45) TMPRSS15F2F10FASNNPC1

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed