SCHEMBL29740101

SCHEMBL29740101

CCONC(=O)c1c(Nc2cccc(-c3ncc(F)cn3)c2OC)ccnc1Nc1cc(C)nc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.46
▸ JAK1 P23458 3/20 0.46
▸ CYP2C19 P33261 1/20 0.42
▸ TP53 P04637 1/20 0.38

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
SCHEMBL29684641 0.93 TYK2 (0.46) TYK2JAK1TP53
SCHEMBL29685477 0.92 TYK2 (0.39) TYK2JAK1CYP2C19TP53
SCHEMBL29685259 0.87 TYK2 (0.45) TYK2JAK1TP53
SCHEMBL29739930 0.87 TYK2 (0.60) TYK2JAK1
SCHEMBL30385385 0.86 TYK2 (0.44) TYK2JAK1TP53
SCHEMBL24497676 0.85 TYK2 (0.61) TYK2JAK1CYP2C19
SCHEMBL29684995 0.85 TYK2 (0.61) TYK2JAK1CYP2C19
SCHEMBL29686415 0.84 TYK2 (0.46) TYK2JAK1
SCHEMBL24497962 0.84 TYK2 (0.61) TYK2JAK1CYP2C19
SCHEMBL29685159 0.84 TYK2 (0.61) TYK2JAK1CYP2C19

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 3 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 disclosed
CN-114901656-B Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-04-07 — — CN disclosed
CN-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 — — CN disclosed
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