SCHEMBL16166240

SCHEMBL16166240

CC(c1ccc(C(F)(F)F)cc1)n1nncc1N

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 19/20 0.44
PDE9A O76083 1/20 0.39

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
SCHEMBL16166372 0.80 ADRB2 (0.41)
SCHEMBL16166590 0.80 ADRB2 (0.41)
SCHEMBL25064763 0.80
SCHEMBL29693600 0.72 CYP19A1 (0.42) PDE2APDE9A
SCHEMBL16166195 0.70 PDE2A (0.42) PDE2APDE9A
SCHEMBL18282858 0.69 PDE2A (0.49) PDE2APDE9A
SCHEMBL25008226 0.69 HTR2A (0.42) PDE9A
SCHEMBL5906272 0.69 PDE2A (0.49) PDE2APDE9A
SCHEMBL29693622 0.68 PTPN2 (0.46) PDE2APDE9A
SCHEMBL2980379 0.67 PDE2A (0.53) PDE2APDE9A

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-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 WO disclosed
WO-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 WO disclosed