SCHEMBL29100337

SCHEMBL29100337

C[C@@H](O)c1nc2cnc3c(cnn3S(=O)(=O)c3ccccc3)c2n1[C@H]1CCNC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.42
JAK2 O60674 5/20 0.42
TYK2 P29597 7/20 0.40
JAK3 P52333 7/20 0.40
CYP3A4 P08684 3/20 0.40
KCNH2 Q12809 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL29100338 1.00 JAK1 (0.42) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL29460614 1.00 JAK1 (0.42) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL30995752 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL25699287 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2223896 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL25283735 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL25241529 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL29460490 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2280654 0.82 JAK1 (0.45) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2224738 0.81 JAK1 (0.46) JAK1JAK2TYK2JAK3CYP3A4

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-116925077-A Pyrido ring compound, and preparation method, intermediate, composition and application thereof 一又生物(上海)有限公司 2023-10-24 CN disclosed
CN-114149428-B Pyrido ring compound, and preparation method, intermediate, composition and application thereof 中国药科大学 2023-06-13 CN disclosed