SCHEMBL23975807

SCHEMBL23975807

CC(C(=O)NC1CC(F)(F)C1)N(C)c1nc(-c2ccccn2)nc2c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
IDH1 O75874 10/20 0.35
CFTR P13569 6/20 0.35
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL30118755 1.00 PDE10A (0.37) PDE10ATDP1IDH1CFTRGABRG2
SCHEMBL23975808 1.00 PDE10A (0.37) PDE10ATDP1IDH1CFTRGABRG2
SCHEMBL30118727 0.89 POLB (0.41) PDE10ATDP1CFTR
SCHEMBL23975634 0.89 POLB (0.41) PDE10ATDP1CFTR
SCHEMBL30225295 0.89 POLB (0.41) PDE10ATDP1CFTR
SCHEMBL23976296 0.89 POLB (0.41) PDE10ATDP1CFTR
SCHEMBL23976744 0.83 PDE10A (0.39) PDE10ATDP1CFTRGABRG2GABRB3
SCHEMBL23976743 0.83 PDE10A (0.39) PDE10ATDP1CFTRGABRG2GABRB3
SCHEMBL23976570 0.83 PDE10A (0.40) PDE10ATDP1CFTRGABRG2GABRB3
SCHEMBL23975774 0.83 PDE10A (0.40) PDE10ATDP1CFTRGABRG2GABRB3

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-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed