SCHEMBL23975719

SCHEMBL23975719

CCN(C)c1nc(-c2ccccn2)nc2c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
AGTR1 P30556 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
MITF O75030 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL23975688 0.88 METAP2 (0.46) PDE10AMETAP2METAP1MEN1KMT2A
SCHEMBL23976150 0.87 PDE10A (0.49) PDE10AMETAP2METAP1MEN1KMT2A
SCHEMBL30118760 0.87 PDE10A (0.49) PDE10AMETAP2METAP1MEN1KMT2A
Hydrochloric Acid SCHEMBL30225329 0.86 PDE10A (0.48) PDE10AMETAP2METAP1MEN1KMT2A
SCHEMBL23976572 0.86 PDE10A (0.44) PDE10AMETAP2METAP1MEN1KMT2A
SCHEMBL23976111 0.86 PDE10A (0.46) PDE10AMETAP2METAP1MEN1KMT2A
SCHEMBL10150242 0.85 L3MBTL1 (0.50) PDE10AMETAP2METAP1MEN1KMT2A
SCHEMBL30225178 0.85 PDE10A (0.49) PDE10AMETAP2METAP1MEN1KMT2A
SCHEMBL23975705 0.85 PDE10A (0.49) PDE10AMETAP2METAP1MEN1KMT2A
Hydrochloric Acid SCHEMBL30225193 0.84 PDE10A (0.49) PDE10AMETAP2METAP1MEN1KMT2A

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