SCHEMBL19823099

SCHEMBL19823099

CCCCC1CN(Cc2ccc(-c3cccn4nc(N)nc34)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.68
JAK3 P52333 7/20 0.68
JAK2 O60674 11/20 0.48
NUDT1 P36639 1/20 0.41
PTK2 Q05397 5/20 0.40

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
SCHEMBL19823051 0.85 JAK1 (0.77) JAK1JAK3JAK2NUDT1PTK2
SCHEMBL21044832 0.82 JAK1 (0.83) JAK1JAK3JAK2NUDT1PTK2
SCHEMBL24062739 0.82 JAK1 (0.70) JAK1JAK3JAK2NUDT1PTK2
SCHEMBL21044840 0.81 JAK1 (1.00) JAK1JAK3JAK2PTK2
SCHEMBL24062632 0.81 JAK1 (0.53) JAK1JAK3JAK2PTK2
SCHEMBL19823062 0.80 JAK1 (0.75) JAK1JAK3JAK2PTK2
SCHEMBL24062643 0.80 JAK1 (0.75) JAK1JAK3JAK2PTK2
SCHEMBL21078412 0.80 JAK1 (0.68) JAK1JAK3JAK2NUDT1PTK2
SCHEMBL21078410 0.79 JAK1 (0.64) JAK1JAK3JAK2NUDT1PTK2
SCHEMBL2634468 0.71 JAK2 (0.73) JAK1JAK3JAK2NUDT1PTK2

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-3492469-B1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF SUZHOU LONGBIOTECH PHARMACEUTICALS CO LTD (CN) 2021-12-01 EP disclosed
EP-3492469-A1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF Tianjin Longbogene Pharmaceutical Co., Ltd. (CN) 2019-06-05 EP disclosed
WO-2018019223-A1 COMPOUND AS SELECTIVE JAK INHIBITOR, AND SALT AND THERAPEUTIC USE THEREOF 张文燕 2018-02-01 WO disclosed