SCHEMBL25280431

SCHEMBL25280431

C[C@@H](O)c1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCN(CC#N)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.49
TYK2 P29597 5/20 0.44
JAK3 P52333 5/20 0.44
JAK2 O60674 5/20 0.44
CYP3A4 P08684 3/20 0.44
KCNH2 Q12809 1/20 0.42
MTOR P42345 3/20 0.42
PIK3CD O00329 1/20 0.37
TYRO3 Q06418 1/20 0.37

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
SCHEMBL25280432 1.00 JAK1 (0.49) JAK1TYK2JAK3JAK2CYP3A4
SCHEMBL30480407 1.00 JAK1 (0.49) JAK1TYK2JAK3JAK2CYP3A4
SCHEMBL30995746 0.93 JAK1 (0.55) JAK1TYK2JAK3JAK2CYP3A4
SCHEMBL25238208 0.92 JAK1 (0.51) JAK1TYK2JAK3JAK2CYP3A4
SCHEMBL30995740 0.92 JAK1 (0.51) JAK1TYK2JAK3JAK2CYP3A4
SCHEMBL30995742 0.91 JAK1 (0.50) JAK1TYK2JAK3JAK2CYP3A4
SCHEMBL25282348 0.88 JAK1 (0.42) JAK1TYK2JAK3JAK2CYP3A4
SCHEMBL29460494 0.88 JAK1 (0.42) JAK1TYK2JAK3JAK2CYP3A4
SCHEMBL25282349 0.88 JAK1 (0.42) JAK1TYK2JAK3JAK2CYP3A4
SCHEMBL30480457 0.88 JAK1 (0.42) JAK1TYK2JAK3JAK2CYP3A4

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
WO-2023115327-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION 中国药科大学 2023-06-29 WO disclosed