SCHEMBL23976404

SCHEMBL23976404

CC(=O)[C@@H](C)N(C)c1nc(-c2ccccn2)nc2c1CCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
CFTR P13569 5/20 0.39
SPR P35270 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL23976570 0.86 PDE10A (0.40) PDE10ATDP1CFTRKDM4EMEN1
SCHEMBL23975774 0.86 PDE10A (0.40) PDE10ATDP1CFTRKDM4EMEN1
SCHEMBL23975568 0.86 PDE10A (0.40) PDE10ATDP1CFTRKDM4EMEN1
SCHEMBL30225191 0.85 PDE10A (0.42) PDE10ATDP1CFTRSPRKDM4E
SCHEMBL23975981 0.85 PDE10A (0.42) PDE10ATDP1CFTRSPRKDM4E
SCHEMBL23976743 0.84 PDE10A (0.39) PDE10ATDP1CFTRKDM4EMEN1
SCHEMBL23976744 0.84 PDE10A (0.39) PDE10ATDP1CFTRKDM4EMEN1
SCHEMBL23975634 0.83 POLB (0.41) PDE10ATDP1CFTRKDM4EMEN1
SCHEMBL23976296 0.83 POLB (0.41) PDE10ATDP1CFTRKDM4EMEN1
SCHEMBL30225295 0.83 POLB (0.41) PDE10ATDP1CFTRKDM4EMEN1

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