SCHEMBL30452708

SCHEMBL30452708

CNc1cc(Nc2cc(F)ccc2OC)nn2c(C(=O)N[C@@H]3CCN(C)C3=C=O)cnc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.49
▸ PDE4D Q08499 5/20 0.49
▸ STAT3 P40763 1/20 0.43

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
SCHEMBL30452809 0.93 TYK2 (0.58) TYK2PDE4DSTAT3
SCHEMBL30454179 0.91 TYK2 (0.49) TYK2PDE4D
SCHEMBL24263492 0.90 TYK2 (0.53) TYK2PDE4DSTAT3
SCHEMBL30454197 0.87 TYK2 (0.52) TYK2PDE4DSTAT3
SCHEMBL30452710 0.85 TYK2 (0.52) TYK2PDE4D
SCHEMBL24263405 0.82 TYK2 (0.62) TYK2PDE4DSTAT3
SCHEMBL24263557 0.81 TYK2 (0.53) TYK2PDE4DSTAT3
SCHEMBL24263418 0.81 TYK2 (0.52) TYK2PDE4DSTAT3
SCHEMBL30452187 0.80 TYK2 (0.52) TYK2PDE4D
SCHEMBL30452323 0.78 TYK2 (0.61) TYK2PDE4DSTAT3

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
CN-115916207-A Five-membered and six-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors 轶诺(浙江)药业有限公司 2023-04-04 — — CN disclosed
Send feedback