SCHEMBL22971018

SCHEMBL22971018

O=Cc1ccc(-c2cccc3nc(NC(=O)[C@H]4C[C@@H]4F)nn23)s1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.51
JAK1 P23458 14/20 0.51
TYK2 P29597 5/20 0.51
JAK3 P52333 2/20 0.42
IKBKB O14920 1/20 0.42
RIPK2 O43353 1/20 0.42
LCK P06239 1/20 0.42
SYK P43405 1/20 0.42
GSK3B P49841 1/20 0.42
PTK2B Q14289 1/20 0.42

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
SCHEMBL29611090 1.00 JAK2 (0.51) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL22971277 1.00 JAK2 (0.51) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL22971079 1.00 JAK2 (0.51) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL22971073 0.86 JAK1 (0.64) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL22971289 0.86 JAK2 (0.51) JAK2JAK1TYK2JAK3
SCHEMBL22971020 0.85 JAK2 (0.50) JAK2JAK1TYK2JAK3
SCHEMBL22971274 0.81 LRRK2 (0.46) JAK2JAK1
SCHEMBL24504134 0.79 JAK2 (0.56) JAK2JAK1TYK2JAK3
SCHEMBL22971320 0.79 JAK2 (0.56) JAK2JAK1TYK2JAK3
SCHEMBL29829572 0.79 JAK2 (0.58) JAK2JAK1TYK2JAK3

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
EP-4011880-A1 JAK KINASE INHIBITOR AND USE THEREOF Jiangsu Carephar Pharmaceutical Co., Ltd (CN) 2022-06-15 EP disclosed
WO-2021023207-A1 JAK KINASE INHIBITOR AND USE THEREOF 江苏柯菲平医药股份有限公司 2021-02-11 WO disclosed