SCHEMBL23976830

SCHEMBL23976830

CN(CC(=O)Nc1cnn(C)c1)c1nc(-c2ccccn2)nc2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.47
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CFTR P13569 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PORCN Q9H237 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 0.88 PDE10A (0.56) PDE10ACFTRTDP1
SCHEMBL30118753 0.88 SMN1; SMN2 (0.37) PDE10AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL23976168 0.88 SMN1; SMN2 (0.37) PDE10AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL23976579 0.87 KDR (0.41) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL30118807 0.87 KDR (0.41) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL30118769 0.86 ALDH1A1 (0.39) PDE10AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL23975936 0.86 ALDH1A1 (0.39) PDE10AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL30118785 0.84 PDE10A (0.45) PDE10ACFTRTDP1
SCHEMBL23975833 0.84 PDE10A (0.45) PDE10ACFTRTDP1
SCHEMBL23975721 0.84 PDE10A (0.48) PDE10AALDH1A1SMN1; SMN2L3MBTL1CFTR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed