SCHEMBL18759693

SCHEMBL18759693

N#Cc1ccn2ncc(-c3ncc(N)c(NC4CCC(O)CC4)n3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.42
JAK1 P23458 9/20 0.42
JAK3 P52333 9/20 0.42
IRAK1 P51617 1/20 0.40
PIM1 P11309 4/20 0.39
PIM2 Q9P1W9 2/20 0.38
PIK3CG P48736 1/20 0.37
FLT3 P36888 1/20 0.37
CHUK O15111 1/20 0.37
MAPK8 P45983 2/20 0.36
IRAK4 Q9NWZ3 2/20 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
SCHEMBL18759694 1.00 JAK2 (0.42) JAK2JAK1JAK3IRAK1PIM1
SCHEMBL12539771 0.89 IRAK1 (0.40) JAK2JAK1JAK3IRAK1PIM1
SCHEMBL18759691 0.87 IRAK4 (0.38) JAK2JAK1JAK3MAPK8IRAK4
SCHEMBL18759689 0.84 CTSK (0.38) JAK2JAK1JAK3IRAK1IRAK4
SCHEMBL2234475 0.83 PIM1 (0.46) JAK2JAK1JAK3IRAK1PIM1
SCHEMBL2234477 0.83 PIM1 (0.46) JAK2JAK1JAK3IRAK1PIM1
SCHEMBL12539996 0.81 JAK2 (0.50) JAK2JAK1JAK3
SCHEMBL12539993 0.81 JAK2 (0.50) JAK2JAK1JAK3
SCHEMBL18759715 0.78 JAK2 (0.39) JAK2JAK1JAK3
SCHEMBL2364314 0.76 PIM1 (0.51) IRAK1PIM1PIM2PIK3CGFLT3

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
EP-2493895-B1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LTD (GB) 2017-04-26 EP disclosed