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Cyclopropane

Cyclopropane

SCHEMBL16986955

C1CC1.CS(=O)(=O)Nc1cccc(-c2cccc3nc(NC(=O)O)nn23)c1

nearest known ligand 0.61

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.61
▸ JAK3 P52333 6/20 0.61
▸ PTK2 Q05397 5/20 0.61
▸ PIK3CD O00329 2/20 0.55
▸ PIK3CG P48736 2/20 0.55
▸ PIK3CA P42336 1/20 0.53
▸ JAK1 P23458 4/20 0.50
▸ FYN P06241 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL13031180 0.86 JAK1 (0.68) JAK2JAK3PTK2PIK3CDPIK3CG
Cyclopropane SCHEMBL16986950 0.82 JAK1 (0.70) JAK2JAK3JAK1TYK2
Cyclopropane SCHEMBL16986940 0.80 JAK2 (0.72) JAK2JAK1TYK2
SCHEMBL2640402 0.80 JAK3 (0.58) JAK2JAK3PTK2PIK3CDPIK3CG
SCHEMBL2634664 0.76 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL13465775 0.76 JAK2 (0.79) JAK2JAK1
SCHEMBL13031243 0.75 JAK1 (0.80) JAK2JAK3JAK1TYK2
Cyclopropane SCHEMBL16986947 0.75 JAK1 (0.56) JAK2JAK3JAK1FYNTYK2
Cyclopropane SCHEMBL16986941 0.75 JAK1 (0.73) JAK2JAK3PTK2JAK1TYK2
Cyclopropane SCHEMBL16986951 0.74 JAK2 (0.55) JAK2JAK3JAK1TYK2

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