SCHEMBL31167992

SCHEMBL31167992

COCC1CC(n2cc(Br)c3cc(NC(C)=O)ncc32)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 6/20 0.44
TYK2 P29597 11/20 0.43
JAK1 P23458 4/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1F P30939 1/20 0.35
PIK3CA P42336 1/20 0.34
PRKDC P78527 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
SCHEMBL30511719 0.84 MAP3K5 (0.54) MAP3K5TYK2JAK1HTR1AHTR1D
SCHEMBL25260883 0.84 MAP3K5 (0.54) MAP3K5TYK2JAK1HTR1AHTR1D
SCHEMBL26599153 0.81 TYK2 (0.51) MAP3K5TYK2JAK1HTR1AHTR1D
SCHEMBL31185798 0.81 TYK2 (0.51) MAP3K5TYK2JAK1HTR1AHTR1D
SCHEMBL26599338 0.78 TYK2 (0.47) MAP3K5TYK2JAK1HTR1AHTR1D
SCHEMBL26599329 0.78 TYK2 (0.47) MAP3K5TYK2JAK1HTR1AHTR1D
SCHEMBL31185868 0.78 TYK2 (0.47) MAP3K5TYK2JAK1HTR1AHTR1D
SCHEMBL21329796 0.73 TYK2 (0.52) MAP3K5TYK2JAK1HTR1AHTR1D
SCHEMBL21330074 0.71 L3MBTL1 (0.41) MAP3K5TYK2JAK1HTR1AHTR1D
SCHEMBL21349538 0.70 L3MBTL1 (0.41) MAP3K5TYK2JAK1HTR1AHTR1D

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-2024217523-A1 SELECTIVE TKY2 INHIBITORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-10-24 WO disclosed