SCHEMBL936770

SCHEMBL936770

COC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3Cl)[nH]n2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 13/20 0.59
MELK Q14680 1/20 0.49
FLT3 P36888 3/20 0.46
MAP4K1 Q92918 1/20 0.43
TP53BP1 Q12888 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42

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
SCHEMBL936444 0.89 PRKD1 (0.59) PRKD1MELKFLT3MAP4K1
SCHEMBL937272 0.88 PRKD1 (0.77) PRKD1MELK
SCHEMBL937642 0.86 PRKD1 (0.77) PRKD1MELKFLT3MAP4K1
SCHEMBL6924254 0.84 PRKD1 (0.78) PRKD1MELKFLT3
SCHEMBL960572 0.83 PRKD1 (0.64) PRKD1MELKFLT3
SCHEMBL6924033 0.83 PRKD1 (0.64) PRKD1MELKFLT3MAP4K1
SCHEMBL1053880 0.79 PRKD1 (0.76) PRKD1FLT3
SCHEMBL936826 0.77 PRKD1 (0.79) PRKD1MELKFLT3
SCHEMBL936241 0.76 PRKD1 (0.80) PRKD1MELKFLT3
SCHEMBL6923035 0.76 PRKD1 (0.73) PRKD1

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
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed