SCHEMBL6923792

SCHEMBL6923792

CC(NC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1)C1CC1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 17/20 0.81
MELK Q14680 1/20 0.58
FLT3 P36888 1/20 0.51
MAP4K1 Q92918 1/20 0.50

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
SCHEMBL1083327 0.90 PRKD1 (1.00) PRKD1MELK
SCHEMBL6924257 0.86 PRKD1 (0.83) PRKD1MELKMAP4K1
SCHEMBL937926 0.86 PRKD1 (0.83) PRKD1MELKMAP4K1
SCHEMBL6923326 0.86 PRKD1 (0.83) PRKD1MELKMAP4K1
SCHEMBL936126 0.86 PRKD1 (0.81) PRKD1MELK
SCHEMBL936647 0.85 PRKD1 (0.75) PRKD1MELKFLT3MAP4K1
SCHEMBL1056529 0.84 PRKD1 (0.78) PRKD1MELKFLT3MAP4K1
SCHEMBL6923976 0.83 PRKD1 (0.74) PRKD1MELKFLT3MAP4K1
SCHEMBL936380 0.82 PRKD1 (0.76) PRKD1MELKMAP4K1
SCHEMBL1077932 0.82 PRKD1 (0.70) PRKD1MELKFLT3MAP4K1

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