SCHEMBL21757112

SCHEMBL21757112

CN1CCC2(CC=C(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.61
JAK2 O60674 17/20 0.61
TYK2 P29597 10/20 0.61
JAK3 P52333 8/20 0.58

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
SCHEMBL21757113 0.89 JAK1 (0.61) JAK1JAK2TYK2JAK3
SCHEMBL21757168 0.88 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL23424188 0.87 JAK1 (0.57) JAK1JAK2TYK2JAK3
SCHEMBL23424173 0.85 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL21757104 0.85 JAK1 (0.45) JAK1JAK2TYK2JAK3
SCHEMBL21757166 0.83 JAK1 (0.56) JAK1JAK2TYK2JAK3
SCHEMBL23584395 0.81 JAK1 (0.68) JAK1JAK2TYK2JAK3
SCHEMBL23424216 0.79 JAK1 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL30927825 0.78 JAK1 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL21242706 0.77 JAK1 (0.67) 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
WO-2020038457-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND APPLICATION THEREOF 珠海联邦制药股份有限公司 2020-02-27 WO disclosed
US-9403829-B2 Pharmaceutical compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino [2,3-b]pyrazin-2(1H)-one, a solid form thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2016-08-02 US disclosed