SCHEMBL19832020

SCHEMBL19832020

O=C(CC1(n2cc(-c3c[nH]c4ncccc34)cn2)CC[S+]([O-])CC1)NCC(F)(F)F

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.83
JAK3 P52333 6/20 0.83
JAK2 O60674 8/20 0.59

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
SCHEMBL19832265 0.91 JAK1 (1.00) JAK1JAK3JAK2
SCHEMBL19832021 0.88 JAK1 (1.00) JAK1JAK3JAK2
SCHEMBL21084573 0.88 JAK1 (0.83) JAK1JAK3JAK2
SCHEMBL21085370 0.86 JAK1 (0.81) JAK1JAK3JAK2
SCHEMBL19832171 0.86 JAK1 (0.60) JAK1JAK3JAK2
SCHEMBL19832232 0.85 JAK1 (0.79) JAK1JAK3JAK2
SCHEMBL19832103 0.83 JAK1 (0.77) JAK1JAK3JAK2
SCHEMBL19832102 0.83 JAK1 (0.73) JAK1JAK3JAK2
SCHEMBL19832215 0.79 JAK2 (0.74) JAK1JAK3JAK2
SCHEMBL19832074 0.78 JAK1 (1.00) JAK1JAK3JAK2

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-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