SCHEMBL8117698

SCHEMBL8117698

COc1nc(N2CCN[C@H](C)C2)ccc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.41
PRKCD Q05655 2/20 0.41
ACVR1 Q04771 6/20 0.39
FGFR1 P11362 2/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
ZAP70 P43403 3/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CSNK1E P49674 2/20 0.38
PRKCA P17252 1/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37

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
SCHEMBL4573226 0.84 ADRB1 (0.47)
SCHEMBL4573826 0.83 ZAP70 (0.45) PRKCQPRKCDACVR1ZAP70PIM1
SCHEMBL8113211 0.81 ROCK2 (0.39) ACVR1FGFR1FGFR2FGFR3ZAP70
SCHEMBL4573273 0.79 ZAP70 (0.39) PRKCQPRKCDACVR1FGFR1FGFR2
SCHEMBL4590384 0.79 ZAP70 (0.39) PRKCQPRKCDACVR1FGFR1FGFR2
SCHEMBL4573978 0.77 HTR2A (0.32)
SCHEMBL4573074 0.75 CTSB (0.45)
SCHEMBL14404436 0.74 PRKCQ (0.47) PRKCQPRKCDACVR1ZAP70PIM1
SCHEMBL8123583 0.73 ZAP70 (0.45) PRKCQPRKCDACVR1FGFR1FGFR2
SCHEMBL4573161 0.73 GHSR (0.46) TLR9TLR8TLR7

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed