SCHEMBL22971017

SCHEMBL22971017

O=C(Nc1nc2cccc(Br)n2n1)[C@H]1C[C@@H]1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.56
JAK2 O60674 14/20 0.56
TYK2 P29597 5/20 0.56
IKBKB O14920 1/20 0.44
RIPK2 O43353 1/20 0.44
LCK P06239 1/20 0.44
SYK P43405 1/20 0.44
GSK3B P49841 1/20 0.44
JAK3 P52333 1/20 0.44
PTK2B Q14289 1/20 0.44

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
SCHEMBL22971276 1.00 JAK1 (0.56) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL22971460 1.00 JAK1 (0.56) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL45724 0.83 JAK1 (0.69) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL25310876 0.78 JAK1 (0.48) JAK1JAK2TYK2
SCHEMBL22971079 0.77 JAK2 (0.51) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL22971018 0.77 JAK2 (0.51) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL29611090 0.77 JAK2 (0.51) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL22971277 0.77 JAK2 (0.51) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL22971289 0.77 JAK2 (0.51) JAK1JAK2TYK2JAK3
SCHEMBL22971020 0.76 JAK2 (0.50) JAK1JAK2TYK2JAK3

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