SCHEMBL4755652

SCHEMBL4755652

Cc1cc(=O)n(-c2ccc(C#N)nc2)c(C2CC3CCC2C3)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
USP14 P54578 2/20 0.35
DPP4 P27487 1/20 0.32
JAK2 O60674 3/20 0.31
PIK3CA P42336 1/20 0.31
SYK P43405 1/20 0.31
JAK1 P23458 2/20 0.30
TYK2 P29597 2/20 0.30
JAK3 P52333 2/20 0.30
KCNH2 Q12809 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
LCAT P04180 1/20 0.30

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
SCHEMBL4755761 0.81 SLC6A3 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL13985419 0.78 PDE4B (0.34) PDE4BPDE4DUSP14DPP4PIK3CA
SCHEMBL13660313 0.77 PDE4B (0.44) PDE4BPDE4DUSP14JAK2PIK3CA
SCHEMBL13985513 0.75 LCAT (0.35) PDE4BPDE4DUSP14DPP4PIK3CA
SCHEMBL4755218 0.75 LCAT (0.35) PDE4BPDE4DUSP14DPP4PIK3CA
SCHEMBL4753738 0.68 JAK2 (0.35) JAK2PIK3CASYKJAK1TYK2
SCHEMBL4753319 0.63 MEN1 (0.40)
SCHEMBL13985524 0.63 MEN1 (0.40)
SCHEMBL4755767 0.62 CHRNB2 (0.34) USP14PIK3CA
SCHEMBL4789984 0.62 KCNH2 (0.32) KCNH2GPR119LCAT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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