SCHEMBL13660314

SCHEMBL13660314

N#Cc1ccc(-n2c(=O)c3ncsc3nc2[C@H]2C[C@@H](C(F)(F)F)C2)cn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE4A P27815 1/20 0.33
SPR P35270 1/20 0.33
LCAT P04180 1/20 0.32
DPP4 P27487 1/20 0.31
USP14 P54578 2/20 0.30
SYK P43405 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
SCHEMBL13660458 0.82 DRD1 (0.35) SPR
SCHEMBL13985423 0.81 PDE4B (0.34) PDE4BPDE4DLCATDPP4USP14
SCHEMBL4755607 0.81 PDE4B (0.34) PDE4BPDE4DLCATDPP4USP14
SCHEMBL13660312 0.81 PDE4B (0.43) PDE4BPDE4DPDE4ALCATUSP14
SCHEMBL13660450 0.78 CTSL (0.35) PDE4BPDE4DPDE4ALCATDPP4
SCHEMBL3169620 0.73 DRD1 (0.37) PDE4ASPR
SCHEMBL3169614 0.73 DRD1 (0.37) PDE4ASPR
SCHEMBL3169708 0.73 PDE4B (0.44) PDE4BPDE4DPDE4ALCATUSP14
SCHEMBL3169713 0.73 PDE4B (0.44) PDE4BPDE4DPDE4ALCATUSP14
SCHEMBL13660308 0.73 CHRNB2 (0.31)

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-2009121036-A2 SUBSTITUTED ARYL PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2009-10-01 WO disclosed