SCHEMBL31287989

SCHEMBL31287989

[2H]C([2H])([2H])NC(=O)c1ccc(NC(=O)C2CC23CC3)nc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.40
TYK2 P29597 3/20 0.39
HDAC1 Q13547 2/20 0.37
HCAR3 P49019 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GCK P35557 2/20 0.36
JAK1 P23458 1/20 0.35

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
SCHEMBL31287946 1.00 MAP4K1 (0.40) MAP4K1TYK2HDAC1HCAR3MEN1
SCHEMBL29666324 0.83 NPC1 (0.52) TYK2MEN1KMT2ANPC1RAB9A
SCHEMBL29829392 0.83 NPC1 (0.52) TYK2MEN1KMT2ANPC1RAB9A
SCHEMBL32677813 0.81 TYK2 (0.43) TYK2MEN1KMT2ANPC1RAB9A
SCHEMBL30636222 0.81 NNMT (0.51) MAP4K1HCAR3ALDH1A1
SCHEMBL31280829 0.80 LRRK2 (0.41) MAP4K1TYK2JAK1
SCHEMBL31017468 0.79 MAP4K1 (0.47) MAP4K1
SCHEMBL31017485 0.79 MAP4K1 (0.47) MAP4K1
SCHEMBL31017395 0.79 MAP4K1 (0.47) MAP4K1
SCHEMBL32677838 0.77 HCAR3 (0.49) HDAC1HCAR3NPC1RAB9A

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-2024254834-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 WO disclosed