SCHEMBL22343298

SCHEMBL22343298

CNc1cc(Nc2cc(C)cc(CCNC(=O)c3cnn4c(NC)cc(Nc5cc(C)cc(C)c5)nc34)c2)nc2c(C(N)=O)cnn12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.64
▸ PDE4D Q08499 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL20679020 0.87 TYK2 (0.83) TYK2PDE4D
SCHEMBL22342939 0.83 TYK2 (0.47) TYK2PDE4D
SCHEMBL22324403 0.81 TYK2 (0.69) TYK2PDE4D
SCHEMBL22343291 0.81 TYK2 (0.77) TYK2PDE4D
SCHEMBL22343337 0.81 TYK2 (0.68) TYK2PDE4D
SCHEMBL21726359 0.79 TYK2 (1.00) TYK2PDE4D
SCHEMBL22323999 0.79 TYK2 (0.73) TYK2PDE4DKDM4E
SCHEMBL22343290 0.78 TYK2 (0.65) TYK2PDE4DALDH1A1HPGD
SCHEMBL22342895 0.78 TYK2 (0.71) TYK2PDE4D
SCHEMBL20678983 0.78 TYK2 (1.00) 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-2020163778-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. (US) 2020-08-13 — — WO disclosed
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