SCHEMBL17640652

SCHEMBL17640652

CCS(=O)(=O)c1cc(-n2ccc(C(F)(F)F)n2)cnc1-c1nc2cc(C(F)(F)F)c(C3CC3)nc2n1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 4/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ IDH1 O75874 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
SCHEMBL17640464 0.85 PDE2A (0.32) PDE2ALRRK2PDE10A
SCHEMBL17696232 0.83 NPC1 (0.33) PDE10AIDH1
SCHEMBL17633968 0.83 LRRK2 (0.35) PDE2ALRRK2
SCHEMBL17640658 0.83 PDE2A (0.36) PDE2ALRRK2
SCHEMBL20182715 0.83 POLB (0.39) IDH1
SCHEMBL17640473 0.83 LRRK2 (0.34) PDE2ALRRK2HCRTR1HCRTR2
SCHEMBL17640665 0.81 PDE2A (0.35) PDE2ALRRK2
SCHEMBL17640666 0.80 CYP1A2 (0.33) LRRK2
SCHEMBL17553650 0.79 NPC1 (0.33) PDE10AIDH1
SCHEMBL18915171 0.77 CNR2 (0.33) IDH1

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-2016046071-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-31 — — WO disclosed
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