SCHEMBL4593025

SCHEMBL4593025

Cc1cnc(Nc2ccc(N3CCN(Cc4nccn4C)CC3)cc2)nc1-c1ccccc1NC(=O)C1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.46
JAK3 P52333 4/20 0.46
PDGFRB P09619 2/20 0.46
FLT3 P36888 2/20 0.46
TBK1 Q9UHD2 2/20 0.46
IKBKB O14920 1/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
RPS6KB1 P23443 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MAP3K9 P80192 1/20 0.46
PLK4 O00444 1/20 0.46
CIT O14578 1/20 0.46
GAK O14976 1/20 0.46
BUB1 O43683 1/20 0.46
ROCK2 O75116 1/20 0.46

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
SCHEMBL4390388 0.89 JAK2 (0.55) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL4376796 0.89 JAK2 (0.55) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL4376808 0.89 JAK2 (0.55) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL4380384 0.77 JAK2 (0.59) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL4381101 0.77 JAK2 (0.59) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL4472951 0.75 JAK2 (0.53) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL4593023 0.75 JAK2 (0.48) JAK2JAK3JAK1BRD4HDAC1
SCHEMBL4383590 0.74 JAK2 (0.72) JAK2JAK3PDGFRBFLT3TBK1
SCHEMBL4385564 0.73 JAK2 (0.54) JAK2JAK3JAK1TYK2BRD4
SCHEMBL4375451 0.73 JAK2 (0.54) JAK2JAK3JAK1TYK2BRD4

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-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed