Cyclopropane

Cyclopropane

SCHEMBL16986954

C1CC1.O=C(O)Nc1nc2cccc(/C=C/c3ccccc3)n2n1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 7/20 0.46
▸ JAK2 O60674 12/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAP3K5 Q99683 1/20 0.40
▸ TYK2 P29597 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13031187 0.85 JAK1 (0.66) JAK1JAK2TYK2
Cyclopropane SCHEMBL16986950 0.78 JAK1 (0.70) JAK1JAK2MAP3K5TYK2
SCHEMBL25310876 0.72 JAK1 (0.48) JAK1JAK2MAP3K5TYK2
SCHEMBL3104863 0.72 NUDT1 (0.54) JAK1LMNASMN1; SMN2
Cyclopropane SCHEMBL16986945 0.70 MAP3K5 (0.73) JAK1JAK2MAP3K5TYK2
Cyclopropane SCHEMBL16986941 0.69 JAK1 (0.73) JAK1JAK2TYK2
Cyclopropane SCHEMBL15653061 0.68 JAK3 (0.57) JAK1JAK2TYK2
Cyclopropane SCHEMBL16986951 0.67 JAK2 (0.55) JAK1JAK2TYK2
Cyclopropane SCHEMBL15654624 0.66 JAK1 (0.76) JAK1JAK2TYK2
SCHEMBL13465775 0.63 JAK2 (0.79) JAK1JAK2MAP3K5

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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