SCHEMBL26098601

SCHEMBL26098601

COc1ccc(CN(C)c2cc(Nc3cccc(-c4cccc(C(=O)O)n4)c3)nn3c(C(=O)NC4CC4F)cnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.40
▸ PDE4D Q08499 2/20 0.36
▸ AURKA O14965 5/20 0.35
▸ BRAF P15056 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL26098589 0.90 TYK2 (0.39) TYK2PDE4DAURKAMAPT
SCHEMBL30392502 0.90 TYK2 (0.39) TYK2PDE4DAURKAMAPT
SCHEMBL30392341 0.90 TYK2 (0.39) TYK2PDE4DAURKAMAPT
SCHEMBL26099037 0.90 TYK2 (0.39) TYK2PDE4DAURKAMAPT
SCHEMBL26099068 0.90 TYK2 (0.44) TYK2PDE4D
SCHEMBL30392726 0.88 TYK2 (0.40) TYK2PDE4DAURKAMAPT
SCHEMBL26102885 0.88 TYK2 (0.40) TYK2PDE4DAURKAMAPT
SCHEMBL30392536 0.85 TYK2 (0.38) TYK2PDE4DAURKA
SCHEMBL26097861 0.85 TYK2 (0.38) TYK2PDE4DAURKA
SCHEMBL30392501 0.83 TYK2 (0.41) TYK2PDE4D

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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