SCHEMBL30490068

SCHEMBL30490068

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.46
▸ JAK1 P23458 8/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ BUB1 O43683 2/20 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
SCHEMBL30724634 0.93 TYK2 (0.49) TYK2JAK1CYP2C19KCNH2JAK2
SCHEMBL30490080 0.91 TYK2 (0.49) TYK2JAK1CYP2C19KCNH2BUB1
SCHEMBL30490067 0.87 TYK2 (0.44) TYK2JAK1CYP2C19BUB1
SCHEMBL30490252 0.85 JAK2 (0.55) TYK2JAK1KCNH2JAK2
SCHEMBL24497662 0.85 TYK2 (0.47) TYK2JAK1CYP2C19KCNH2JAK2
SCHEMBL29686586 0.85 TYK2 (0.47) TYK2JAK1CYP2C19KCNH2JAK2
SCHEMBL30490071 0.85 TYK2 (0.51) TYK2JAK1JAK2
SCHEMBL26524061 0.84 TYK2 (0.50) TYK2JAK1CYP2C19KCNH2JAK2
SCHEMBL29685368 0.84 TYK2 (0.52) TYK2JAK1CYP2C19KCNH2JAK2
SCHEMBL26117905 0.84 TYK2 (0.52) TYK2JAK1CYP2C19KCNH2JAK2

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
Send feedback