SCHEMBL19832252

SCHEMBL19832252

N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CC[S+]([O-])CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.73
JAK1 P23458 18/20 0.73
JAK3 P52333 14/20 0.73
CIT O14578 1/20 0.66
GAK O14976 1/20 0.66
ROCK2 O75116 1/20 0.66
ULK1 O75385 1/20 0.66
PRKCB P05771 1/20 0.66
RET P07949 1/20 0.66
PRKCA P17252 1/20 0.66
PRKACA P17612 1/20 0.66
MARK3 P27448 1/20 0.66
TYK2 P29597 1/20 0.66
STAT3 P40763 1/20 0.66
CLK1 P49759 1/20 0.66
CSNK1G2 P78368 1/20 0.66
PRKCD Q05655 1/20 0.66
MAP3K1 Q13233 1/20 0.66
ROCK1 Q13464 1/20 0.66
TNK1 Q13470 1/20 0.66

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
SCHEMBL100609 0.91 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL29541207 0.91 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL871842 0.89 JAK2 (0.80) JAK2JAK1JAK3CITGAK
SCHEMBL100359 0.89 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL99411 0.88 JAK2 (0.82) JAK2JAK1JAK3CITGAK
SCHEMBL102406 0.87 JAK2 (0.77) JAK2JAK1JAK3CITGAK
SCHEMBL2605490 0.85 JAK2 (0.74) JAK2JAK1JAK3CITGAK
SCHEMBL24261752 0.85 JAK2 (0.66) JAK2JAK1JAK3TYK2
SCHEMBL19832251 0.85 JAK2 (1.00) JAK2JAK1JAK3CITGAK
Hydrochloric Acid SCHEMBL16007893 0.84 JAK2 (0.72) JAK2JAK1JAK3CITGAK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3492468-B1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF SUZHOU LONGBIOTECH PHARMACEUTICALS CO LTD (CN) 2022-02-23 EP disclosed
EP-3492468-A1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF Tianjin Longbogene Pharmaceutical Co., Ltd. (CN) 2019-06-05 EP disclosed
WO-2018019222-A1 HETEROCYCLIC COMPOUND AS JAK INHIBITOR, AND SALTS AND THERAPEUTIC USE THEREOF 张文燕 2018-02-01 WO disclosed