SCHEMBL23975663

SCHEMBL23975663

CN(CC(O)N1CCC(c2cc(OCCO)cc(-c3nc4c(c(N(C)CC(=O)Nc5cnn(C6CC6)c5)n3)CCC4)n2)C1)c1nc(-c2cc(OCCO)ccn2)nc2c1CCC2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.32
LRRK2 Q5S007 1/20 0.32
OGA O60502 1/20 0.31
SYK P43405 1/20 0.30
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL23976383 0.88 CLK2 (0.39) CLK2LRRK2OGASYKIKBKE
SCHEMBL23976962 0.82 CLK2 (0.37) CLK2LRRK2OGAIKBKETBK1
SCHEMBL30118737 0.80 SYK (0.39) SYK
SCHEMBL23976000 0.80 SYK (0.39) SYK
SCHEMBL30118642 0.76 SYK (0.37) SYK
SCHEMBL23975987 0.76 SYK (0.37) SYK
SCHEMBL30118793 0.75 HDAC1 (0.37) SYK
SCHEMBL23976297 0.75 HDAC1 (0.37) SYK
SCHEMBL23976206 0.75 SYK (0.38) SYK
SCHEMBL30118609 0.75 SYK (0.38) SYK

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