SCHEMBL29971504

SCHEMBL29971504

C=CC(=O)N1CCCC(CNc2c(C(N)=O)cnc3[nH]ccc23)C1C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.54
JAK2 O60674 13/20 0.50
JAK1 P23458 11/20 0.50
BTK Q06187 1/20 0.46
TYK2 P29597 1/20 0.45

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
SCHEMBL29971712 0.89 JAK3 (0.49) JAK3JAK2JAK1BTKTYK2
SCHEMBL29972559 0.82 JAK3 (0.54) JAK3JAK2JAK1BTKTYK2
SCHEMBL29971710 0.81 BTK (0.58) JAK3JAK2JAK1BTKTYK2
SCHEMBL29972261 0.81 BTK (0.58) JAK3JAK2JAK1BTKTYK2
SCHEMBL2105762 0.78 JAK2 (0.55) JAK3JAK2JAK1TYK2
SCHEMBL2104120 0.77 JAK2 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL2104114 0.77 JAK2 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL29972399 0.77 JAK3 (0.54) JAK3JAK2JAK1BTKTYK2
SCHEMBL2104807 0.76 JAK2 (0.57) JAK3JAK2JAK1TYK2
SCHEMBL29972143 0.75 JAK3 (0.72) JAK3JAK2JAK1BTKTYK2

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-2022199599-A1 ACRYLOYL-SUBSTITUTED COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 凯复(苏州)生物医药有限公司 2022-09-29 WO disclosed