SCHEMBL12296273

SCHEMBL12296273

Cc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)nc(N(C)C)n1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 18/20 0.72
JAK2 O60674 15/20 0.72
JAK1 P23458 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
JAK3 P52333 1/20 0.38
KDR P35968 1/20 0.37
DGAT1 O75907 1/20 0.35

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
SCHEMBL12295212 0.89 TYK2 (0.58) TYK2JAK2KDR
SCHEMBL2372952 0.89 TYK2 (0.58) TYK2JAK2JAK1CDK2CDK9
SCHEMBL12295203 0.89 TYK2 (0.56) TYK2JAK2KDR
SCHEMBL2372016 0.88 TYK2 (0.57) TYK2JAK2JAK1CDK2CDK9
SCHEMBL2371723 0.88 TYK2 (0.55) TYK2JAK2JAK1CDK2CDK9
SCHEMBL12294563 0.88 TYK2 (0.55) TYK2JAK2JAK1CDK2CDK9
SCHEMBL2371388 0.84 TYK2 (0.72) TYK2JAK2JAK1CDK2CDK9
SCHEMBL2372339 0.83 TYK2 (0.70) TYK2JAK2JAK1CDK2CDK9
SCHEMBL2372652 0.83 TYK2 (0.51) TYK2JAK2JAK1CDK2CDK9
SCHEMBL2371706 0.81 TYK2 (0.48) TYK2JAK2

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-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed