SCHEMBL14628836

SCHEMBL14628836

Cc1ccc2cc(Cn3c(=O)n(C4CCCC[C@H]4C)c4c5cc[nH]c5ncc43)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.49
JAK2 O60674 17/20 0.49
JAK3 P52333 10/20 0.49
AURKA O14965 1/20 0.40
PRKCA P17252 1/20 0.40
KDR P35968 1/20 0.40
TYK2 P29597 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
ATM Q13315 1/20 0.38
ATR Q13535 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
SCHEMBL2055126 1.00 JAK1 (0.49) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2055183 0.84 JAK1 (0.52) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2104864 0.83 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2105247 0.83 JAK1 (0.57) JAK1JAK2JAK3TYK2
SCHEMBL2105308 0.82 JAK1 (0.51) JAK1JAK2JAK3TYK2
SCHEMBL2106069 0.82 JAK1 (0.51) JAK1JAK2JAK3TYK2
SCHEMBL2055081 0.82 JAK1 (0.52) JAK1JAK2JAK3TYK2
SCHEMBL2055096 0.82 JAK1 (0.52) JAK1JAK2JAK3TYK2
SCHEMBL2055114 0.82 JAK1 (0.49) JAK1JAK2JAK3TYK2
SCHEMBL2055105 0.82 JAK1 (0.51) JAK1JAK2JAK3TYK2

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-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed