Cyclopropane

Cyclopropane

SCHEMBL16986946

C1CC1.CN(C)c1ccccc1-c1cccc2nc(NC(=O)O)nn12

nearest known ligand 0.50

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 12/20 0.50
▸ JAK2 O60674 7/20 0.47
▸ MAP3K5 Q99683 1/20 0.43
▸ EGLN2 Q96KS0 1/20 0.42
▸ TYK2 P29597 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ PTK2B Q14289 1/20 0.41

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
SCHEMBL13031181 0.84 JAK1 (0.70) JAK1JAK2TYK2JAK3IKBKB
Cyclopropane SCHEMBL16986950 0.80 JAK1 (0.70) JAK1JAK2MAP3K5EGLN2TYK2
Cyclopropane SCHEMBL16986949 0.78 PIK3CG (0.53) JAK2
SCHEMBL3098201 0.74 NUDT1 (0.62) JAK1EGLN2JAK3
Cyclopropane SCHEMBL16986945 0.72 MAP3K5 (0.73) JAK1JAK2MAP3K5EGLN2TYK2
Cyclopropane SCHEMBL16986940 0.72 JAK2 (0.72) JAK1JAK2EGLN2TYK2
Cyclohexane SCHEMBL16986948 0.72 JAK1 (0.53) JAK1JAK2MAP3K5EGLN2TYK2
Cyclopropane SCHEMBL16986955 0.72 JAK2 (0.61) JAK1JAK2TYK2JAK3
Cyclopropane SCHEMBL16986954 0.71 JAK1 (0.46) JAK1JAK2MAP3K5TYK2
Cyclopropane SCHEMBL15655209 0.70 JAK2 (0.69) 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
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