SCHEMBL2000440

SCHEMBL2000440

CN(c1ccnc(-c2cnc3ccccn23)n1)[C@@H]1CCCNC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.54
MAPK10 P53779 1/20 0.53
DYRK1A Q13627 1/20 0.43
MAPK8 P45983 1/20 0.43
FLT3 P36888 3/20 0.41
KIT P10721 2/20 0.40
KCNH2 Q12809 4/20 0.39
RPLP1 P05386 3/20 0.39
RPLP0 P05388 3/20 0.39
RPS17 P08708 3/20 0.39
RPSA P08865 3/20 0.39
RPS2 P15880 3/20 0.39
RPL35A P18077 3/20 0.39
RPL7 P18124 3/20 0.39
RPL17 P18621 3/20 0.39
RPS4Y1 P22090 3/20 0.39
RPS3 P23396 3/20 0.39
RPS12 P25398 3/20 0.39
RPL13 P26373 3/20 0.39
RPL10 P27635 3/20 0.39

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
SCHEMBL1995794 0.85 FLT3 (0.44) IRAK4FLT3NRAS
SCHEMBL1995796 0.85 FLT3 (0.44) IRAK4FLT3NRAS
SCHEMBL1992453 0.83 IRAK4 (0.51) IRAK4FLT3NRAS
SCHEMBL1992451 0.83 IRAK4 (0.51) IRAK4FLT3NRAS
SCHEMBL1997366 0.73 ADORA2A (0.39)
SCHEMBL2054144 0.73 ADORA2A (0.39)
SCHEMBL21105794 0.72 IRAK4 (0.74) IRAK4MAPK10DYRK1AMAPK8FLT3
SCHEMBL2229902 0.72 PCSK9 (0.41) FLT3KCNH2RPLP1RPLP0RPS17
SCHEMBL12553163 0.71 IRAK4 (0.53) IRAK4MAPK10DYRK1AMAPK8FLT3
SCHEMBL21217156 0.71 IRAK4 (0.56) IRAK4MAPK10DYRK1AMAPK8FLT3

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-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP disclosed