SCHEMBL3823489

SCHEMBL3823489

CN(CCc1ccccn1)c1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
CXCR2 P25025 2/20 0.46
POLB P06746 1/20 0.43
PDK1 Q15118 3/20 0.43
MAPK14 Q16539 3/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCL2A1 Q16548 1/20 0.39
PTGIR P43119 2/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
GRM1 Q13255 1/20 0.39
SLC2A1 P11166 1/20 0.39
PDK2 Q15119 2/20 0.38
PDK4 Q16654 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 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
SCHEMBL8195085 0.92 CXCR2 (0.47) KDM4ECXCR2POLBPDK1MAPK14
SCHEMBL3824063 0.87 PDK1 (0.48) KDM4ETSHRPDK1MAPK14SLC2A1
SCHEMBL3827716 0.86 PDK1 (0.46) CXCR2PDK1MAPK14BCL2A1PTGIR
SCHEMBL3823781 0.86 PDK1 (0.46) CXCR2PDK1MAPK14BCL2A1PTGIR
SCHEMBL3822951 0.84 PDK1 (0.43) CXCR2PDK1MAPK14MEN1KMT2A
SCHEMBL3058261 0.84 POLB (0.46) KDM4ETSHRCXCR2POLBMAPT
SCHEMBL3830084 0.83 PDK1 (0.49) CXCR2PDK1MAPK14MAPTMEN1
SCHEMBL3829755 0.82 PDK1 (0.48) CXCR2PDK1MAPK14BCL2A1SLC2A1
SCHEMBL3063300 0.81 POLB (0.44) KDM4ETSHRCXCR2POLBMAPT
SCHEMBL3063698 0.81 POLB (0.42) KDM4ETSHRCXCR2POLBMAPT

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