SCHEMBL3960643

SCHEMBL3960643

CS(=O)(=O)c1cc(-c2ccnc(Nc3ccc(-c4nc(N5CCCC(O)C5)n[nH]4)cc3)n2)cc(N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.50
JAK3 P52333 11/20 0.50
JAK1 P23458 3/20 0.47
PDGFRB P09619 2/20 0.47
FLT3 P36888 2/20 0.47
TYK2 P29597 2/20 0.47
MAPK8 P45983 2/20 0.47
IKBKB O14920 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
RPS6KB1 P23443 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
MAP3K9 P80192 1/20 0.47
PLK4 O00444 1/20 0.47
CIT O14578 1/20 0.47
GAK O14976 1/20 0.47
BUB1 O43683 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL3958610 0.89 MAPK8 (0.56) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL3959579 0.87 JAK2 (0.55) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL3752968 0.86 MAPK8 (0.61) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL3951572 0.80 MAPK8 (0.61) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL3953204 0.79 JAK2 (0.59) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL3953494 0.79 JAK2 (0.56) JAK2JAK3IKBKBKITNEK3
SCHEMBL13081588 0.77 JAK2 (0.44) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL3954546 0.76 JAK2 (0.38) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL3759136 0.74 MAPK10 (0.80) JAK2JAK3JAK1PDGFRBFLT3
SCHEMBL3750767 0.73 MAPK10 (0.73) JAK2JAK3JAK1TYK2MAPK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed