SCHEMBL4785158

SCHEMBL4785158

NC(=O)N1CCC(Nc2nc(-c3cccc(F)c3)nc(N3CCc4ccccc4C3CO)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
CSNK1E P49674 3/20 0.34
JAK2 O60674 1/20 0.34
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
CSNK1D P48730 2/20 0.34
PIK3CA P42336 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 3/20 0.33

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
SCHEMBL4784326 0.91 IDH1 (0.35) MAPK1PDE4BPDE4DTP53PIK3CA
SCHEMBL4785161 0.83 CSNK1E (0.36) PDE4BPDE4DCSNK1EJAK2BRD4
SCHEMBL4784052 0.78 PIK3CA (0.38) MAPK1BRD4TP53PIK3CA
SCHEMBL4783578 0.77 CSNK1E (0.43) PDE4BPDE4DCSNK1EJAK2BRD4
SCHEMBL4784447 0.74 IDH1 (0.37) PDE4BPDE4DCSNK1ETP53
SCHEMBL4782612 0.73 IDH1 (0.41) PIK3CA
SCHEMBL4782980 0.71 PIK3CA (0.44) CSNK1DPIK3CA
SCHEMBL4855287 0.71 PIK3CA (0.44) PIK3CA
SCHEMBL4784144 0.70 IDH1 (0.42) MAPK1PIK3CA
SCHEMBL4781393 0.70 PIK3CA (0.41) PIK3CADRD2

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