SCHEMBL25833757

SCHEMBL25833757

CCc1ncc(-c2ccc(C(F)(F)F)cc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.55
TRPV1 Q8NER1 1/20 0.54
NPY5R Q15761 1/20 0.50
SCN10A Q9Y5Y9 4/20 0.47
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
SSTR3 P32745 1/20 0.44
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL8746195 0.84 PDE10A (0.49) SCN10APDE10A
SCHEMBL25303515 0.84 SCN2A (0.55) SCN2ATRPV1NPY5RSCN10ACCNB2
SCHEMBL5758675 0.83 SCN2A (0.54) SCN2ATRPV1NPY5RSCN10ACCNB2
Bromide SCHEMBL16210189 0.83 SCN2A (0.54) SCN2ATRPV1NPY5RSCN10ACCNB2
SCHEMBL19390585 0.81 PDE10A (0.49) SCN10APDE10A
SCHEMBL27550011 0.80 PDE10A (0.51) NPY5RSCN10APDE10A
SCHEMBL15586819 0.80 SSTR3 (0.46) SCN10ACCNB2CDK1CCNB1GSK3A
SCHEMBL17215027 0.80 PDE10A (0.49) SCN10APDE10A
SCHEMBL19390558 0.78 SCN10A (0.60) SCN2ANPY5RSCN10APDE10A
SCHEMBL5756074 0.78 SCN2A (0.49) SCN2ATRPV1NPY5RSCN10ACCNB2

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-2023135057-A1 BICYCLIC TRIAZINE DERIVATIVES FOR THE TREATMENT OF CANCER DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2023-07-20 WO disclosed