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Cyclopropane

Cyclopropane

SCHEMBL16986947

C1CC1.O=C(O)Nc1nc2cccc(-c3cccc(OC(F)(F)F)c3)n2n1

nearest known ligand 0.56

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 8/20 0.56
▸ JAK2 O60674 11/20 0.56
▸ DYRK1A Q13627 2/20 0.47
▸ FYN P06241 1/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ IKBKB O14920 1/20 0.45
▸ RIPK2 O43353 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ PTK2B Q14289 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
SCHEMBL13031185 0.86 JAK2 (0.76) JAK1JAK2TYK2JAK3IKBKB
Cyclopropane SCHEMBL16986950 0.82 JAK1 (0.70) JAK1JAK2TYK2JAK3
Cyclopropane SCHEMBL16986940 0.80 JAK2 (0.72) JAK1JAK2TYK2
Cyclopropane SCHEMBL16986941 0.77 JAK1 (0.73) JAK1JAK2TYK2JAK3IKBKB
Cyclopropane SCHEMBL16986951 0.77 JAK2 (0.55) JAK1JAK2TYK2JAK3
SCHEMBL3104923 0.76 NUDT1 (0.59) JAK1DYRK1A
SCHEMBL3208526 0.76 JAK2 (0.53) JAK1JAK2DYRK1AFYNJAK3
SCHEMBL13031398 0.75 JAK1 (0.77) JAK1JAK2TYK2JAK3IKBKB
Cyclopropane SCHEMBL15654878 0.75 JAK2 (0.63) JAK1JAK2TYK2JAK3
Cyclopropane SCHEMBL16986955 0.75 JAK2 (0.61) JAK1JAK2FYNTYK2JAK3

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