SCHEMBL30392681

SCHEMBL30392681

COc1ccc(CN(C)c2cc(Nc3cccc(-c4ccc(C5OCCO5)cn4)c3)nn3c(C(=O)NC4[C@H]5COC[C@@H]45)cnc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.33
▸ PDE4D Q08499 3/20 0.33
▸ AURKA O14965 5/20 0.33
▸ PDE1B Q01064 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ BRAF P15056 1/20 0.30

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
SCHEMBL26101647 1.00 TYK2 (0.33) TYK2PDE4DAURKAPDE1BCNR2
SCHEMBL26101644 1.00 TYK2 (0.33) TYK2PDE4DAURKAPDE1BCNR2
SCHEMBL26100963 0.92 TYK2 (0.40) TYK2PDE4D
SCHEMBL30391424 0.92 TYK2 (0.35) TYK2PDE4DAURKAPDE1BCNR2
SCHEMBL26101565 0.91 TYK2 (0.39) TYK2PDE4DAURKACNR2
SCHEMBL30392105 0.91 TYK2 (0.33) TYK2PDE4DAURKANPC1RAB9A
SCHEMBL26098951 0.91 TYK2 (0.33) TYK2PDE4DAURKANPC1RAB9A
SCHEMBL30392913 0.91 TYK2 (0.33) TYK2PDE4DAURKANPC1RAB9A
SCHEMBL30392536 0.91 TYK2 (0.38) TYK2PDE4DAURKANPC1RAB9A
SCHEMBL26097861 0.91 TYK2 (0.38) TYK2PDE4DAURKANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4423086-A1 TYK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-09-04 — — EP disclosed
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 — — WO disclosed
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