SCHEMBL20628370

SCHEMBL20628370

CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(C3CC3)cnc2n1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ BRD4 O60885 1/20 0.33
▸ GRM2 Q14416 4/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ DRD4 P21917 3/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ CRHR1 P34998 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ PDE2A O00408 5/20 0.31
▸ PDE10A Q9Y233 4/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL29904932 0.96 POLB (0.47) POLBBRD4GRM2DRD2DRD4
SCHEMBL17844042 0.96 POLB (0.47) POLBBRD4GRM2DRD2DRD4
SCHEMBL17858044 0.92 POLB (0.46) POLBBRD4GRM2DRD2DRD4
SCHEMBL29904941 0.92 POLB (0.46) POLBBRD4GRM2DRD2DRD4
SCHEMBL17844202 0.92 POLB (0.46) POLBBRD4GRM2DRD2DRD4
SCHEMBL17844129 0.92 POLB (0.45) POLBBRD4GRM2DRD2DRD4
SCHEMBL29904930 0.92 POLB (0.45) POLBBRD4GRM2DRD2DRD4
SCHEMBL29431598 0.89 POLB (0.52) POLBCRHR1PDE10AEGLN1
SCHEMBL14677239 0.89 POLB (0.52) POLBCRHR1PDE10AEGLN1
SCHEMBL21586180 0.89 POLB (0.39) POLBBRD4

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
EP-3194394-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-09 — — EP disclosed
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