SCHEMBL29205155

SCHEMBL29205155

N#CC(=C1CCN(C(=O)N2CCn3cncc3C2)CC1)c1ccc(SCl)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
CDK1 P06493 1/20 0.32
MYT1 Q01538 1/20 0.32
SPR P35270 1/20 0.32
PROKR1 Q8TCW9 3/20 0.32
ELANE P08246 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
SCHEMBL27166049 0.89 PROKR1 (0.41) NAMPTCDK1MYT1SPRPROKR1
SCHEMBL29205137 0.87 NAMPT (0.40) NAMPTCDK1MYT1SPRPROKR1
SCHEMBL27166046 0.83 NAMPT (0.38) NAMPTCDK1MYT1SPRELANE
SCHEMBL30054983 0.83 NAMPT (0.38) NAMPTCDK1MYT1SPRELANE
SCHEMBL29205134 0.82 PROKR1 (0.45) NAMPTPROKR1ELANE
SCHEMBL27166190 0.81 NAMPT (0.36) NAMPTCDK1MYT1SPRELANE
SCHEMBL27166119 0.79 NAMPT (0.34) NAMPTCDK1MYT1SPRELANE
SCHEMBL27166132 0.79 NAMPT (0.34) NAMPTCDK1MYT1SPRELANE
SCHEMBL30056225 0.79 NAMPT (0.34) NAMPTCDK1MYT1SPRELANE
SCHEMBL29205147 0.77 NAMPT (0.39) NAMPTSPRPROKR1

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
CN-117794899-A Novel heterocyclic compounds, compositions, methods of preparation and uses thereof 欧加农研发芬兰有限公司 2024-03-29 CN disclosed