Cyclohexane

Cyclohexane

SCHEMBL16986948

C1CCCCC1.O=C(O)Nc1nc2cccc(-c3ccsc3)n2n1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.53
JAK2 O60674 10/20 0.51
TYK2 P29597 2/20 0.47
MAP3K5 Q99683 1/20 0.47
EGLN2 Q96KS0 1/20 0.46
JAK3 P52333 1/20 0.45

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
SCHEMBL13031192 0.85 JAK1 (0.70) JAK1JAK2TYK2JAK3
Cyclopropane SCHEMBL16986950 0.85 JAK1 (0.70) JAK1JAK2TYK2MAP3K5EGLN2
SCHEMBL2787657 0.85 MAP3K5 (0.65) JAK1JAK2MAP3K5
SCHEMBL13031190 0.84 JAK1 (0.73) JAK1JAK2TYK2JAK3
Cyclopropane SCHEMBL16986945 0.79 MAP3K5 (0.73) JAK1JAK2TYK2MAP3K5EGLN2
Cyclopropane SCHEMBL16986940 0.79 JAK2 (0.72) JAK1JAK2TYK2EGLN2
SCHEMBL3094875 0.78 JAK1 (0.54) JAK1JAK2TYK2MAP3K5EGLN2
SCHEMBL2790092 0.78 JAK2 (0.53) JAK1JAK2TYK2MAP3K5
Cyclopropane SCHEMBL16986941 0.78 JAK1 (0.73) JAK1JAK2TYK2JAK3
Cyclopropane SCHEMBL15654018 0.75 JAK2 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057158-B1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LTD (GB) 2015-08-12 EP claimed