SCHEMBL22273062

SCHEMBL22273062

COC1CC[C@H]1NC(=O)c1cnc2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.33
▸ MALT1 Q9UDY8 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ JAK1 P23458 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL22252334 1.00 TYK2 (0.33) TYK2MALT1PDE4DJAK1JAK2
SCHEMBL22252368 1.00 TYK2 (0.33) TYK2MALT1PDE4DJAK1JAK2
SCHEMBL22252471 1.00 TYK2 (0.33) TYK2MALT1PDE4DJAK1JAK2
SCHEMBL31161633 0.87 TYK2 (0.40) TYK2MALT1PDE4D
SCHEMBL31161680 0.87 TYK2 (0.40) TYK2MALT1PDE4D
SCHEMBL22272928 0.81 TYK2 (0.39) TYK2PDE4D
SCHEMBL22272925 0.81 TYK2 (0.39) TYK2PDE4D
SCHEMBL22252393 0.79 MALT1 (0.36) MALT1
SCHEMBL31161399 0.79 TYK2 (0.48) TYK2PDE4D
SCHEMBL31161333 0.78 SSTR3 (0.35) TYK2

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-2020154474-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-07-30 — — WO disclosed
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