SCHEMBL958041

SCHEMBL958041

C[C@@H](NC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)c(-c4ccncc4)c3)[nH]n2)c1)C(N)=O

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 18/20 0.85
MELK Q14680 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL958042 1.00 PRKD1 (0.85) PRKD1MELKFLT3
SCHEMBL1058483 0.92 PRKD1 (1.00) PRKD1MELK
SCHEMBL6922259 0.88 PRKD1 (0.84) PRKD1
SCHEMBL6924673 0.87 PRKD1 (0.76) PRKD1MELKFLT3
SCHEMBL965101 0.86 PRKD1 (0.87) PRKD1FLT3
SCHEMBL6923111 0.86 PRKD1 (1.00) PRKD1MELKFLT3
SCHEMBL1049058 0.85 PRKD1 (0.86) PRKD1MELKFLT3
SCHEMBL936241 0.84 PRKD1 (0.80) PRKD1MELKFLT3
SCHEMBL1059135 0.83 PRKD1 (0.73) PRKD1FLT3
SCHEMBL6924016 0.80 PRKD1 (0.67) PRKD1MELKFLT3

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