SCHEMBL6232964

SCHEMBL6232964

N#Cc1ccc(N2CCCC(C(F)(F)F)C2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.52
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.45
GPR119 Q8TDV5 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
SCN9A Q15858 1/20 0.42
EIF2AK4 Q9P2K8 1/20 0.42
PANK3 Q9H999 1/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
JAK3 P52333 3/20 0.41
CHEK1 O14757 1/20 0.41
NTRK1 P04629 1/20 0.41
PRKCA P17252 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL2224211 0.80 MAP4K4 (0.50) MAP4K4DPP4DPP8DPP9DPP7
SCHEMBL29462081 0.80 RET (0.48) DPP4DPP8DPP9DPP7GPR119
SCHEMBL6259732 0.79 GPR119 (0.50) DPP4DPP8DPP9DPP7GPR119
SCHEMBL3048925 0.77 KDM4E (0.54) GPR119PANK3KDM4EALDH1A1L3MBTL1
SCHEMBL14844043 0.77 SMO (0.56) GPR119PANK3KDM4EALDH1A1L3MBTL1
SCHEMBL29514660 0.77 KDM4E (0.54) GPR119PANK3KDM4EALDH1A1L3MBTL1
SCHEMBL24493347 0.77 PDK1 (0.49) DPP4DPP8DPP9DPP7GPR119
SCHEMBL21135514 0.77 MAP4K4 (0.52) MAP4K4DPP4DPP8DPP9DPP7
SCHEMBL24493349 0.77 PDK1 (0.49) DPP4DPP8DPP9DPP7GPR119
SCHEMBL12683464 0.77 GPR119 (0.46) MAP4K4GPR119PANK3JAK2JAK1

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed