SCHEMBL12640993

SCHEMBL12640993

COC(=O)c1c(N)nc(NC2CCCCC2)nc1Nc1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FER P16591 4/20 0.52
SYK P43405 13/20 0.49
KCNH2 Q12809 7/20 0.49
MAPK3 P27361 5/20 0.49
MAPK1 P28482 5/20 0.49
AURKB Q96GD4 5/20 0.49
GP6 Q9HCN6 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GALR2 O43603 1/20 0.44
GALR1 P47211 1/20 0.44

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
SCHEMBL1987645 0.86 FER (0.57) FERSYKKCNH2MAPK3MAPK1
SCHEMBL12640800 0.80 TP53 (0.55) SYKKCNH2MAPK1AURKBNPC1
SCHEMBL16976717 0.77 SYK (0.51) FERSYKKCNH2MAPK3MAPK1
SCHEMBL23397913 0.73 SYK (0.53) FERSYKKCNH2MAPK3MAPK1
SCHEMBL1986849 0.73 SYK (0.53) FERSYKKCNH2MAPK3MAPK1
SCHEMBL12640878 0.73 SYK (0.46) FERSYKKCNH2MAPK3MAPK1
SCHEMBL12640925 0.71 CISD2 (0.46) FERSYKMAPK1AURKBNPC1
SCHEMBL1989300 0.71 SYK (0.76) FERSYKKCNH2MAPK3MAPK1
SCHEMBL22475336 0.71 FER (0.55) FERSYKKCNH2MAPK3MAPK1
SCHEMBL1988785 0.71 SYK (0.49) FERSYKKCNH2MAPK3MAPK1

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-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed