SCHEMBL24188232

SCHEMBL24188232

CN1CC(c2ncc(-c3ccncc3)s2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.41
MAP4K3 Q8IVH8 2/20 0.40
MAP4K4 O95819 1/20 0.40
GCK P35557 1/20 0.40
MAP4K1 Q92918 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 6/20 0.37
KDR P35968 1/20 0.36
GAA P10253 1/20 0.35
FLT3 P36888 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
KIT P10721 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
SCHEMBL24188228 0.77 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3KDR
SCHEMBL24188525 0.75 MAPT (0.44) MAP4K3MAP4K4GCKMAP4K1MAP4K5
SCHEMBL24188234 0.72 CHRNB2 (0.46) LIMK1
SCHEMBL24188279 0.72 TLR9 (0.41) KDR
SCHEMBL24212898 0.72 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KDRMKNK1
SCHEMBL9906381 0.71 CCNE1 (0.35)
SCHEMBL24212826 0.71 MCHR1 (0.37) MKNK1
SCHEMBL24188225 0.71 APP (0.46)
SCHEMBL1474932 0.70 CSNK2A1 (0.48) MKNK1
SCHEMBL4875916 0.69 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3MKNK1

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-2022010537-A1 GAS41 INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-13 WO disclosed