SCHEMBL13043375

SCHEMBL13043375

NCCCNC(=O)c1ccc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)nc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 19/20 0.60
JAK2 O60674 17/20 0.60
JAK1 P23458 10/20 0.60
CDK9 P50750 1/20 0.50
JAK3 P52333 1/20 0.50
EGFR P00533 1/20 0.49

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
SCHEMBL13032671 0.88 TYK2 (0.57) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3517458 0.86 TYK2 (0.59) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3513617 0.85 JAK2 (0.54) TYK2JAK2JAK1
SCHEMBL3514600 0.84 TYK2 (0.70) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3514268 0.83 TYK2 (0.69) TYK2JAK2JAK1CDK9JAK3
SCHEMBL12987231 0.83 TYK2 (0.71) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3516473 0.83 TYK2 (0.55) TYK2JAK2JAK1EGFR
SCHEMBL13043157 0.80 TYK2 (0.73) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3513033 0.80 TYK2 (0.66) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3516487 0.79 TYK2 (0.62) 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
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed