SCHEMBL12893409

SCHEMBL12893409

Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1OCc1c(F)cccc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.69
▸ CDK1 P06493 10/20 0.60
▸ CCNB2 O95067 8/20 0.60
▸ CCNB1 P14635 8/20 0.60
▸ CCNB3 Q8WWL7 8/20 0.60
▸ CDK2 P24941 4/20 0.60
▸ EIF2AK2 P19525 3/20 0.60
▸ AURKA O14965 3/20 0.60
▸ CDK4 P11802 2/20 0.60
▸ CCNA2 P20248 2/20 0.60
▸ CCND1 P24385 2/20 0.60
▸ MAPK3 P27361 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ KDR P35968 2/20 0.60
▸ CSNK1A1 P48729 2/20 0.60
▸ CSNK1D P48730 2/20 0.60
▸ CSNK1E P49674 2/20 0.60
▸ CLK1 P49759 2/20 0.60
▸ CLK3 P49761 2/20 0.60
▸ GSK3A P49840 2/20 0.60

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
SCHEMBL24339601 0.81 JAK2 (1.00) JAK2CDK1CCNB2CCNB1CCNB3
SCHEMBL5726338 0.80 CDK1 (0.73) JAK2CDK1CCNB2CCNB1CCNB3
SCHEMBL21067547 0.78 CCNB2 (0.67) JAK2CDK1CCNB2CCNB1CCNB3
SCHEMBL5964775 0.76 CCNB2 (0.64) JAK2CDK1CCNB2CCNB1CCNB3
Jnj-7706621 SCHEMBL1060773 0.75 CDK1 (1.00) JAK2CDK1CCNB2CCNB1CCNB3
SCHEMBL28198387 0.73 CCNB2 (0.61) JAK2CDK1CCNB2CCNB1CCNB3
SCHEMBL5964695 0.73 CCNB2 (1.00) JAK2CDK1CCNB2CCNB1CCNB3
SCHEMBL1394721 0.72 CCNB2 (1.00) JAK2CDK1CCNB2CCNB1CCNB3
SCHEMBL5725974 0.72 CDK1 (0.78) JAK2CDK1CCNB2CCNB1CCNB3
SCHEMBL5726628 0.72 JAK2 (0.70) JAK2CDK1CCNB2CCNB1CCNB3

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
US-7888380-B2 1,2,4-Triazolylaminoaryl (heteroaryl) sulfonamide derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2011-02-15 — — US disclosed
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