SCHEMBL23975698

SCHEMBL23975698

CC(C(O)NC(C)(C)C)N(C)c1nc(-c2ccccn2)nc2c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.37
CYP1A2 P05177 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
RAB9A P51151 1/20 0.34
CFTR P13569 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MDM2 Q00987 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 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
SCHEMBL23975799 0.90 PDE10A (0.36) PDE10ACYP1A2MEN1KMT2ATDP1
SCHEMBL23976662 0.88 MEN1 (0.36) PDE10ACYP1A2MEN1KMT2ATDP1
SCHEMBL23975832 0.84 CFTR (0.39) PDE10AKMT2ATDP1RAB9ACFTR
SCHEMBL23976570 0.83 PDE10A (0.40) PDE10ACYP1A2MEN1KMT2ATDP1
SCHEMBL23975568 0.83 PDE10A (0.40) PDE10ACYP1A2MEN1KMT2ATDP1
SCHEMBL23975774 0.83 PDE10A (0.40) PDE10ACYP1A2MEN1KMT2ATDP1
SCHEMBL23975848 0.82 PDE10A (0.39) PDE10ACYP1A2MEN1KMT2ATDP1
SCHEMBL23975718 0.82 PDE10A (0.39) PDE10ACYP1A2MEN1KMT2ATDP1
SCHEMBL23986923 0.82 PDE10A (0.39) PDE10ACYP1A2MEN1KMT2ATDP1
SCHEMBL30118660 0.82 PDE10A (0.39) PDE10ACYP1A2MEN1KMT2ATDP1

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