SCHEMBL28816239

SCHEMBL28816239

CN(c1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 20/20 0.61
JAK2 O60674 11/20 0.61
JAK1 P23458 6/20 0.61
CDK9 P50750 1/20 0.61
JAK3 P52333 1/20 0.61

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
SCHEMBL3516803 0.85 TYK2 (0.66) TYK2JAK2JAK1CDK9JAK3
SCHEMBL4063941 0.77 S1PR1 (0.51) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3515230 0.76 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3514136 0.74 TYK2 (0.72) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3514963 0.74 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3513787 0.74 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3515423 0.74 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL1706029 0.73 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL1707688 0.73 TYK2 (0.70) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3513725 0.73 TYK2 (0.98) TYK2JAK2JAK1CDK9JAK3

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
CN-102459187-B Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2015-06-17 CN claimed