SCHEMBL30983141

SCHEMBL30983141

COc1ccc(CN(C)c2ccnc3c(C(=O)N[C@@H]4CC[C@H]4OC)cnn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.47
▸ JAK1 P23458 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL30983149 0.86 TYK2 (0.45) TYK2
SCHEMBL31572541 0.86 TYK2 (0.45) TYK2
SCHEMBL30612392 0.80 KDM4E (0.49) —
SCHEMBL29990745 0.76 TYK2 (0.64) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL29990614 0.76 TYK2 (0.64) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL29990624 0.76 TYK2 (0.64) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21960681 0.75 TYK2 (0.62) TYK2
SCHEMBL21947281 0.75 TYK2 (0.62) TYK2
SCHEMBL26099017 0.74 TYK2 (0.46) TYK2
SCHEMBL20689534 0.73 TYK2 (0.66) 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
CN-118515674-A Amide compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-08-20 — — CN disclosed
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