SCHEMBL19831999

SCHEMBL19831999

N#CCC1(n2cc(-c3ccnc4[nH]ccc34)cn2)CCSCC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.69
JAK1 P23458 11/20 0.69
JAK3 P52333 5/20 0.69
TYK2 P29597 2/20 0.69
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54
INCENP Q9NQS7 1/20 0.54
TPX2 Q9ULW0 1/20 0.54

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
SCHEMBL99794 0.92 JAK2 (0.71) JAK2JAK1JAK3TYK2AURKA
SCHEMBL14331887 0.88 JAK2 (0.71) JAK2JAK1JAK3TYK2AURKA
SCHEMBL19831998 0.87 JAK2 (0.75) JAK2JAK1JAK3TYK2
SCHEMBL24261752 0.87 JAK2 (0.66) JAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4086730 0.83 JAK1 (0.66) JAK2JAK1JAK3TYK2
SCHEMBL22421430 0.82 JAK2 (0.70) JAK2JAK1JAK3TYK2
SCHEMBL18975893 0.82 JAK2 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL29389911 0.82 JAK2 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL24860470 0.82 JAK2 (0.74) JAK2JAK1JAK3TYK2
SCHEMBL18975895 0.82 JAK2 (1.00) JAK2JAK1JAK3TYK2

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