SCHEMBL3823686

SCHEMBL3823686

CNc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.47
PDK1 Q15118 3/20 0.46
VNN1 O95497 1/20 0.43
PDK2 Q15119 2/20 0.43
PDK4 Q16654 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PDK3 Q15120 1/20 0.43
MAPK14 Q16539 6/20 0.43
GRM5 P41594 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HCAR3 P49019 1/20 0.39
CXCR2 P25025 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL3826441 0.86 MAPK14 (0.49) BCL2A1PDK1VNN1PDK2PDK4
SCHEMBL3829758 0.86 BCL2A1 (0.45) BCL2A1PDK1VNN1PDK2PDK4
SCHEMBL3822748 0.85 BCL2A1 (0.52) BCL2A1PDK1VNN1PDK2PDK4
SCHEMBL3828503 0.84 IKBKB (0.45) BCL2A1PDK1VNN1MAPK14
SCHEMBL3830084 0.83 PDK1 (0.49) BCL2A1PDK1VNN1PDK2PDK4
SCHEMBL3829755 0.83 PDK1 (0.48) BCL2A1PDK1VNN1PDK2PDK4
SCHEMBL3821700 0.82 CNR2 (0.49) BCL2A1PDK1VNN1PDK2PDK4
SCHEMBL3822924 0.81 BCL2A1 (0.46) BCL2A1PDK1VNN1PDK2PDK4
SCHEMBL3828507 0.81 PDK1 (0.45) BCL2A1PDK1VNN1PDK2PDK4
SCHEMBL3823781 0.79 PDK1 (0.46) BCL2A1PDK1VNN1PDK2PDK4

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-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed