SCHEMBL26101299

SCHEMBL26101299

CNc1cc(N2CCc3c(-c4ncccc4C(=O)O)cccc32)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.48
▸ GPR52 Q9Y2T5 1/20 0.36
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL30392650 1.00 TYK2 (0.48) TYK2GPR52PDE4D
SCHEMBL26100155 0.85 TYK2 (0.46) TYK2PDE4D
SCHEMBL31162001 0.83 TYK2 (0.46) TYK2GPR52PDE4D
SCHEMBL26099988 0.83 TYK2 (0.46) TYK2GPR52PDE4D
SCHEMBL26101546 0.82 TYK2 (0.49) TYK2PDE4D
Trifluoroacetic Acid SCHEMBL31161866 0.82 TYK2 (0.44) TYK2PDE4D
SCHEMBL26102578 0.82 TYK2 (0.45) TYK2PDE4D
SCHEMBL31161630 0.81 TYK2 (0.48) TYK2GPR52PDE4D
SCHEMBL26102661 0.81 TYK2 (0.48) TYK2PDE4D
Trifluoroacetic Acid SCHEMBL31161475 0.81 TYK2 (0.43) TYK2GPR52PDE4D

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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