SCHEMBL4472951

SCHEMBL4472951

Cc1c[nH]c(CN2CCN(c3ccc(Nc4ncc(C)c(-c5ccc(NC(=O)[C@H]6CCCN6)cc5)n4)cc3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.53
JAK3 P52333 8/20 0.53
JAK1 P23458 5/20 0.53
PDGFRB P09619 2/20 0.53
FLT3 P36888 2/20 0.53
TBK1 Q9UHD2 2/20 0.53
TYK2 P29597 2/20 0.53
IKBKB O14920 2/20 0.53
KIT P10721 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT1 P17948 1/20 0.53
RPS6KB1 P23443 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
MAP3K9 P80192 1/20 0.53
PLK4 O00444 1/20 0.53
CIT O14578 1/20 0.53
GAK O14976 1/20 0.53
BUB1 O43683 1/20 0.53
ROCK2 O75116 1/20 0.53

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
SCHEMBL4381101 0.88 JAK2 (0.59) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4380384 0.88 JAK2 (0.59) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4376808 0.86 JAK2 (0.55) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4376796 0.86 JAK2 (0.55) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4390388 0.86 JAK2 (0.55) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4383590 0.85 JAK2 (0.72) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL13588602 0.77 JAK2 (0.72) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4379074 0.76 JAK2 (0.61) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4380279 0.76 JAK2 (0.72) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL4378069 0.76 JAK2 (0.72) JAK2JAK3JAK1PDGFRBFLT3

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed