SCHEMBL23976102

SCHEMBL23976102

CC(=O)CN(C)c1nc(-c2cc(C)ccn2)nc2c1CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PDE10A Q9Y233 1/20 0.37
HDAC1 Q13547 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
KDM4E B2RXH2 1/20 0.34
ADRB2 P07550 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL23976238 0.92 SPR (0.40) SPRALDH1A1MAPTKMT2AHTT
SCHEMBL30225199 0.92 SPR (0.40) SPRALDH1A1MAPTKMT2AHTT
SCHEMBL23975733 0.88 MAPT (0.38) SPRALDH1A1MAPTKMT2AHTT
SCHEMBL30225287 0.88 MAPT (0.38) SPRALDH1A1MAPTKMT2AHTT
SCHEMBL23975583 0.88 TUBB3 (0.39) SPRALDH1A1MAPTKMT2AMEN1
SCHEMBL23976223 0.87 HDAC1 (0.37) SPRALDH1A1MAPTKMT2AHTT
SCHEMBL23976647 0.86 GAA (0.41) SPRALDH1A1MAPTKMT2AHTT
SCHEMBL23975788 0.85 KMT2A (0.45) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL23975765 0.84 GAA (0.41) SPRALDH1A1MAPTKMT2AHTT
SCHEMBL23975819 0.84 HDAC1 (0.35) SPRALDH1A1MAPTKMT2AHTT

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