SCHEMBL23975583

SCHEMBL23975583

COc1ccnc(-c2nc3c(c(N(C)CC(C)=O)n2)CCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB3 Q13509 4/20 0.39
ABCB1 P08183 2/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
MAPT P10636 2/20 0.37
SPR P35270 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SYK P43405 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
CBFB Q13951 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL30484199 0.93 TUBB3 (0.38) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23975862 0.93 TUBB3 (0.38) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL30225209 0.92 SPR (0.39) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23975838 0.92 SPR (0.39) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23976283 0.91 ABCB1 (0.38) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL30118610 0.91 ABCB1 (0.38) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23975859 0.89 HDAC1 (0.39) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL30225179 0.88 ABCB1 (0.39) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23975852 0.88 ABCB1 (0.39) TUBB3ABCB1CCR1CCR5CCR8
SCHEMBL23976102 0.88 SPR (0.38) TUBB3ABCB1CCR1CCR5CCR8

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