SCHEMBL28290063

SCHEMBL28290063

Nc1cccc(CNc2cc(Nc3ccc(N4CCOCC4)cc3)ncn2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.67
JAK3 P52333 10/20 0.67
JAK1 P23458 9/20 0.67
TYK2 P29597 2/20 0.58
PIK3CB P42338 1/20 0.54
PLK4 O00444 2/20 0.53
NTRK1 P04629 2/20 0.51

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
SCHEMBL28288635 0.83 JAK2 (0.64) JAK2JAK3JAK1TYK2PIK3CB
SCHEMBL2481110 0.81 STAT6 (0.61) JAK2JAK3JAK1TYK2
SCHEMBL28876030 0.79 JAK3 (0.84) JAK2JAK3JAK1TYK2
SCHEMBL29813697 0.79 JAK3 (0.84) JAK2JAK3JAK1TYK2
SCHEMBL374117 0.78 CD274 (0.57) JAK2JAK3JAK1TYK2PLK4
SCHEMBL2178686 0.77 JAK3 (0.63) JAK2JAK3JAK1TYK2
SCHEMBL12482572 0.77 JAK2 (0.62) JAK2JAK3JAK1TYK2
SCHEMBL12192511 0.76 MAPK10 (0.54) JAK2JAK3JAK1PLK4
SCHEMBL12487942 0.75 JAK2 (0.60) JAK2JAK3JAK1TYK2
SCHEMBL374409 0.75 CD274 (0.59) JAK2JAK3JAK1TYK2

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-109678803-A A kind of preparation and application of novel 4,6- disubstituted amido miazines jak kinase inhibitor 中国药科大学 2019-04-26 CN disclosed