SCHEMBL26101240

SCHEMBL26101240

COc1ccc(CN(C)c2cc(N3CCc4c(-c5cc(C(=O)O)ccn5)cccc43)nn3c(C(=O)N[C@@H]4C[C@@H]4F)cnc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.34
▸ SMYD2 Q9NRG4 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ KDM4C Q9H3R0 2/20 0.33
▸ F10 P00742 1/20 0.33
▸ GPR52 Q9Y2T5 9/20 0.33
▸ KDM5A P29375 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ KLKB1 P03952 1/20 0.31

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
SCHEMBL26100954 0.93 TYK2 (0.37) TYK2ROCK1F10GPR52
SCHEMBL26099498 0.93 GPR52 (0.35) TYK2ROCK1F10GPR52
SCHEMBL26099530 0.92 TYK2 (0.34) TYK2ROCK1F10GPR52
SCHEMBL26100687 0.91 TYK2 (0.34) TYK2ROCK1F10GPR52
SCHEMBL26100675 0.89 TYK2 (0.35) TYK2ROCK1F10GPR52
SCHEMBL31161297 0.88 TYK2 (0.34) TYK2ROCK1F10GPR52
SCHEMBL26101093 0.86 MAPT (0.34) TYK2SMYD2F10
SCHEMBL30391637 0.86 TYK2 (0.33) TYK2ROCK1F10
SCHEMBL26099972 0.86 TYK2 (0.33) TYK2ROCK1F10
SCHEMBL26102480 0.85 TYK2 (0.36) TYK2ROCK1F10GPR52

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-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 — — WO disclosed
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