SCHEMBL4584469

SCHEMBL4584469

CCNC(=O)[C@@H]1CCCN1c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.71
JAK3 P52333 14/20 0.71
JAK1 P23458 6/20 0.66
TYK2 P29597 4/20 0.66
PDGFRB P09619 2/20 0.66
FLT3 P36888 2/20 0.66
PLK4 O00444 2/20 0.66
CIT O14578 2/20 0.66
GAK O14976 2/20 0.66
ROCK2 O75116 2/20 0.66
PRKD3 O94806 2/20 0.66
CSNK2A2 P19784 2/20 0.66
MARK3 P27448 2/20 0.66
MAPK8 P45983 2/20 0.66
NEK3 P51956 2/20 0.66
IKBKE Q14164 2/20 0.66
AAK1 Q2M2I8 2/20 0.66
ULK3 Q6PHR2 2/20 0.66
Q6ZSR9 Q6ZSR9 2/20 0.66
MARK2 Q7KZI7 2/20 0.66

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
SCHEMBL4472034 1.00 JAK2 (0.71) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4459323 0.91 JAK2 (0.66) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4458372 0.91 JAK2 (0.66) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4457210 0.91 JAK2 (0.73) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4462119 0.91 JAK2 (0.73) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4464356 0.89 JAK2 (0.71) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4380123 0.89 JAK2 (0.70) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4382707 0.89 JAK2 (0.70) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4383319 0.83 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB
SCHEMBL4378171 0.83 JAK2 (1.00) JAK2JAK3JAK1TYK2PDGFRB

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 disclosed