Sugi Predict

Sugi Predict / Compounds / SCHEMBL30490080

SCHEMBL30490080

SCHEMBL30490080

CCONC(=O)c1cnccc1Nc1cccc(-c2ncc(F)cn2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.49
▸ JAK1 P23458 10/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KCNH2 Q12809 1/20 0.40
▸ BUB1 O43683 3/20 0.39

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
SCHEMBL30724634 0.92 TYK2 (0.49) TYK2JAK1CYP2C19KCNH2
SCHEMBL30490068 0.91 TYK2 (0.46) TYK2JAK1CYP2C19KCNH2BUB1
SCHEMBL30385380 0.90 TYK2 (0.45) TYK2JAK1CYP2C19BUB1
SCHEMBL30636204 0.87 TYK2 (0.57) TYK2JAK1CYP2C19KCNH2
SCHEMBL31218707 0.87 TYK2 (0.57) TYK2JAK1CYP2C19KCNH2
SCHEMBL30490075 0.86 TYK2 (0.51) TYK2JAK1CYP2C19BUB1
SCHEMBL24497674 0.85 TYK2 (0.54) TYK2JAK1CYP2C19KCNH2
SCHEMBL29686389 0.85 TYK2 (0.54) TYK2JAK1CYP2C19KCNH2
SCHEMBL30466384 0.85 TYK2 (0.67) TYK2JAK1CYP2C19
SCHEMBL30490067 0.84 TYK2 (0.44) TYK2JAK1CYP2C19BUB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 — — CN claimed
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 — — CN disclosed
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