SCHEMBL4755607

SCHEMBL4755607

Cc1nc(C2CC(C(F)(F)F)C2)n(-c2ccc(C#N)nc2)c(=O)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
LCAT P04180 1/20 0.34
USP14 P54578 2/20 0.34
PIK3CA P42336 1/20 0.34
ELANE P08246 2/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2C9 P11712 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AR P10275 2/20 0.33
ITGAL P20701 1/20 0.32
CHEK1 O14757 1/20 0.32
SYK P43405 1/20 0.32
DPP4 P27487 1/20 0.31
KCNH2 Q12809 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 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
SCHEMBL13985423 1.00 PDE4B (0.34) PDE4BPDE4DLCATUSP14PIK3CA
SCHEMBL13660314 0.81 PDE4B (0.34) PDE4BPDE4DLCATUSP14SYK
SCHEMBL13660312 0.81 PDE4B (0.43) PDE4BPDE4DLCATUSP14PIK3CA
SCHEMBL13660450 0.80 CTSL (0.35) PDE4BPDE4DLCATUSP14DPP4
SCHEMBL4755057 0.79 DRD1 (0.41) KCNH2
SCHEMBL13985519 0.79 DRD1 (0.41) KCNH2
SCHEMBL13985417 0.77 HSD11B1 (0.37) USP14KCNH2DRD2DRD3
SCHEMBL4755218 0.77 LCAT (0.35) PDE4BPDE4DLCATUSP14PIK3CA
SCHEMBL13985513 0.77 LCAT (0.35) PDE4BPDE4DLCATUSP14PIK3CA
SCHEMBL4755548 0.75 PDE4B (0.35) PDE4BPDE4DLCATUSP14PIK3CA

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed