SCHEMBL23975786

SCHEMBL23975786

CC(C)NC(=O)CN(C)c1nc(-c2ccccn2)nc2c1CCC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.46
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
CFTR P13569 2/20 0.39
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23976021 0.87 PDE10A (0.56) PDE10ATDP1CFTRMETAP2METAP1
SCHEMBL23975723 0.87 PDE10A (0.46) PDE10ATDP1POLBCFTRMETAP2
SCHEMBL23975705 0.86 PDE10A (0.49) PDE10ATDP1CFTRMETAP2METAP1
SCHEMBL30225178 0.86 PDE10A (0.49) PDE10ATDP1CFTRMETAP2METAP1
SCHEMBL26228677 0.86 PDE10A (0.47) PDE10AMAPTHTTTDP1POLB
SCHEMBL23976223 0.86 HDAC1 (0.37) PDE10AMAPTHTTPOLBHDAC1
Hydrochloric Acid SCHEMBL30225193 0.85 PDE10A (0.49) PDE10ATDP1CFTRMETAP2METAP1
SCHEMBL30225284 0.85 PDE10A (0.47) PDE10ATDP1POLBCFTRMETAP2
SCHEMBL30225169 0.85 NPC1 (0.37) PDE10AMAPTHTTTDP1POLB
SCHEMBL23976687 0.85 NPC1 (0.37) PDE10AMAPTHTTTDP1POLB

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