SCHEMBL30995740

SCHEMBL30995740

C[C@@H](O)c1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1[C@H]1CCN(CCCC#N)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.51
TYK2 P29597 4/20 0.42
JAK3 P52333 4/20 0.42
CYP3A4 P08684 3/20 0.42
KCNH2 Q12809 1/20 0.42
JAK2 O60674 5/20 0.41
PIK3CD O00329 1/20 0.36
TYRO3 Q06418 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
SCHEMBL25238208 1.00 JAK1 (0.51) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL30995742 0.98 JAK1 (0.50) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL30995746 0.96 JAK1 (0.55) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL25280432 0.92 JAK1 (0.49) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL25280431 0.92 JAK1 (0.49) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL30480407 0.92 JAK1 (0.49) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL29460508 0.91 JAK1 (0.42) JAK1TYK2JAK3CYP3A4JAK2
SCHEMBL25280077 0.89 JAK1 (0.46) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL25280078 0.89 JAK1 (0.46) JAK1TYK2JAK3CYP3A4KCNH2
SCHEMBL30480431 0.89 JAK1 (0.46) JAK1TYK2JAK3CYP3A4KCNH2

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
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 EP disclosed