Sugi Predict

Sugi Predict / Compounds / Cyclopropane

Cyclopropane

Cyclopropane

SCHEMBL16986941

C1CC1.COc1ccc(-c2cccc3nc(NC(=O)O)nn23)cc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 10/20 0.73
▸ JAK2 O60674 10/20 0.72
▸ JAK3 P52333 3/20 0.72
▸ TYK2 P29597 2/20 0.72
▸ IKBKB O14920 1/20 0.72
▸ RIPK2 O43353 1/20 0.72
▸ LCK P06239 1/20 0.72
▸ SYK P43405 1/20 0.72
▸ GSK3B P49841 1/20 0.72
▸ PTK2B Q14289 1/20 0.72
▸ PTK2 Q05397 1/20 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
SCHEMBL13031287 0.87 JAK1 (0.79) JAK1JAK2JAK3TYK2IKBKB
Cyclopropane SCHEMBL16986950 0.86 JAK1 (0.70) JAK1JAK2JAK3TYK2
SCHEMBL13031296 0.85 JAK1 (0.72) JAK1JAK2JAK3TYK2IKBKB
SCHEMBL13031297 0.84 JAK1 (0.92) JAK1JAK2JAK3TYK2IKBKB
SCHEMBL13031293 0.84 JAK1 (0.92) JAK1JAK2JAK3TYK2IKBKB
SCHEMBL13031173 0.84 JAK1 (1.00) JAK1JAK2JAK3TYK2IKBKB
SCHEMBL13031288 0.84 JAK1 (1.00) JAK1JAK2JAK3TYK2IKBKB
SCHEMBL3584534 0.84 JAK1 (0.73) JAK1JAK2JAK3TYK2IKBKB
SCHEMBL13031290 0.83 JAK1 (0.81) JAK1JAK2JAK3TYK2IKBKB
SCHEMBL13031289 0.81 JAK1 (0.75) JAK1JAK2JAK3TYK2IKBKB

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