SCHEMBL24263554

SCHEMBL24263554

CNc1cc(Nc2cccc3c2OCCC3)nn2c(C(=O)N3CCCC34CC(F)(F)C4)cnc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.49
▸ PDE4D Q08499 6/20 0.49
▸ STAT3 P40763 1/20 0.40

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
SCHEMBL29754423 0.82 TYK2 (0.59) TYK2PDE4DSTAT3
SCHEMBL24263553 0.79 TYK2 (0.51) TYK2PDE4DSTAT3
SCHEMBL24263488 0.76 TYK2 (0.50) TYK2PDE4DSTAT3
SCHEMBL24263487 0.75 TYK2 (0.66) TYK2PDE4DSTAT3
SCHEMBL30452323 0.75 TYK2 (0.61) TYK2PDE4DSTAT3
SCHEMBL29754341 0.74 TYK2 (0.60) TYK2PDE4DSTAT3
SCHEMBL24263467 0.70 TYK2 (0.65) TYK2PDE4DSTAT3
SCHEMBL31245693 0.64 TYK2 (0.39) TYK2PDE4DSTAT3
SCHEMBL24263480 0.64 TYK2 (0.78) TYK2PDE4DSTAT3
SCHEMBL24263458 0.64 TYK2 (0.63) 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
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