SCHEMBL23975783

SCHEMBL23975783

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.40
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
CFTR P13569 6/20 0.33
TDP1 Q9NUW8 1/20 0.33
C5AR1 P21730 1/20 0.33
THRB P10828 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL25926506 0.90 PDE10A (0.42) PDE10AMETAP2METAP1CFTRTDP1
SCHEMBL23976572 0.84 PDE10A (0.44) PDE10AMETAP2METAP1CFTRTDP1
SCHEMBL23986910 0.82 PDE10A (0.46) PDE10ACFTRMEN1KMT2ANPC1
SCHEMBL23975776 0.81 PDE10A (0.44) PDE10AMETAP2METAP1CFTRTDP1
SCHEMBL30118645 0.81 PDE10A (0.44) PDE10AMETAP2METAP1CFTRTDP1
SCHEMBL24702095 0.81 LMNA (0.38) PDE10ACFTRTDP1MEN1KMT2A
SCHEMBL23975712 0.81 PDE10A (0.36) PDE10ACFTRTDP1MEN1KMT2A
SCHEMBL23986871 0.81 PDE10A (0.41) PDE10AMETAP2METAP1CFTRTDP1
SCHEMBL23975719 0.80 PDE10A (0.44) PDE10AMETAP2METAP1CFTRTDP1
SCHEMBL23986773 0.79 PDE10A (0.40) PDE10AMETAP2METAP1CFTRHTT

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