SCHEMBL4785161

SCHEMBL4785161

NC(=O)N1CCC(Nc2nc(-c3cccc(F)c3)nc(N3Cc4ccccc4C[C@@H]3CO)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 6/20 0.36
CSNK1D P48730 3/20 0.36
PDE4B Q07343 2/20 0.35
PDE4D Q08499 1/20 0.35
JAK2 O60674 1/20 0.34
BRD4 O60885 1/20 0.34
NAMPT P43490 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CA P42336 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL4784447 0.91 IDH1 (0.37) CSNK1EPDE4BPDE4D
SCHEMBL4785822 0.87 CTSL (0.40) PDE4BPDE4DPIK3CB
SCHEMBL4857757 0.85 DRD2 (0.44) DRD2DRD4
SCHEMBL4785158 0.83 MAPK1 (0.35) CSNK1ECSNK1DPDE4BPDE4DJAK2
SCHEMBL4783578 0.78 CSNK1E (0.43) CSNK1ECSNK1DPDE4BPDE4DJAK2
SCHEMBL4784054 0.77 PIK3CA (0.37) BRD4PIK3CA
SCHEMBL4784674 0.75 HRH4 (0.43)
SCHEMBL4784326 0.74 IDH1 (0.35) PDE4BPDE4DPIK3CA
SCHEMBL4782447 0.73 HRH4 (0.36) PDE4BPDE4DDRD2DRD4RXFP1
SCHEMBL4785292 0.72 ROCK1 (0.35) PIK3CB

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
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO claimed