SCHEMBL4664978

SCHEMBL4664978

CC(C)COC(=O)N1CC=C(c2c[nH]c3c(Cl)nc(-c4ccccc4)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.40
MAPT P10636 9/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
CHEK1 O14757 2/20 0.38
MAP4K4 O95819 2/20 0.38
CHEK2 O96017 2/20 0.38
PRKCG P05129 2/20 0.38
CDK1 P06493 2/20 0.38
PIM1 P11309 2/20 0.38
FGFR1 P11362 2/20 0.38
PRKACA P17612 2/20 0.38
RPS6KB1 P23443 2/20 0.38
CDK2 P24941 2/20 0.38
MARK3 P27448 2/20 0.38
MAPK1 P28482 2/20 0.38
FLT4 P35916 2/20 0.38
FLT3 P36888 2/20 0.38
CLK2 P49760 2/20 0.38

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
SCHEMBL4665003 0.89 JAK2 (0.38) BTKMAPTHTR1ADRD2CHEK1
SCHEMBL4664786 0.88 BTK (0.39) BTKMAPTHTR1ADRD2CHEK1
SCHEMBL4665049 0.86 JAK1 (0.48) BTKJAK1
SCHEMBL3715658 0.77 DRD2 (0.49) MAPTLMNADRD2CHEK1MAP4K4
SCHEMBL5007703 0.74 JAK1 (0.47) BTKJAK1
SCHEMBL4663355 0.74 JAK1 (0.46) BTKJAK1
SCHEMBL4590003 0.74 WDR5 (0.40) BTKMAPTCHEK1MAP4K4CHEK2
SCHEMBL5302846 0.70 IKBKB (0.43) MAPTJAK2JAK1LNPEP
SCHEMBL4666734 0.68 IKBKB (0.48) BTKFLT3JAK2AURKA
SCHEMBL3226626 0.68 MAPT (0.66) MAPTLMNAHTR1ADRD2TP53

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-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed