SCHEMBL24263269

SCHEMBL24263269

CNc1cc(Nc2cccc(C)n2)nn2c(C(=O)N[C@@H]3CCN(C)C3=O)cnc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 0.55
PDE4D Q08499 2/20 0.54
STAT3 P40763 1/20 0.49

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
SCHEMBL30452187 0.90 TYK2 (0.52) TYK2PDE4D
SCHEMBL24263303 0.86 TYK2 (0.55) TYK2PDE4D
SCHEMBL24263468 0.84 TYK2 (0.78) TYK2PDE4D
SCHEMBL24263480 0.84 TYK2 (0.78) TYK2PDE4DSTAT3
SCHEMBL24263405 0.84 TYK2 (0.62) TYK2PDE4DSTAT3
SCHEMBL24263261 0.83 TYK2 (0.57) TYK2PDE4DSTAT3
SCHEMBL24263265 0.82 TYK2 (0.56) TYK2PDE4DSTAT3
SCHEMBL24263463 0.82 TYK2 (0.54) TYK2PDE4DSTAT3
SCHEMBL24263467 0.82 TYK2 (0.65) TYK2PDE4DSTAT3
SCHEMBL24263469 0.82 TYK2 (0.64) 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-2022037694-A1 A CLASS OF FIVE- AND SIX-MEMBERED HETEROCYCLIC COMPOUNDS AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITORS 轶诺(浙江)药业有限公司 2022-02-24 WO disclosed