SCHEMBL6924673

SCHEMBL6924673

CN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)NCC(N)=O)c4)n[nH]3)cc2-c2ccncc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 15/20 0.76
MELK Q14680 1/20 0.41
FLT3 P36888 2/20 0.41
WDR5 P61964 1/20 0.40
ROCK2 O75116 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
SCHEMBL958041 0.87 PRKD1 (0.85) PRKD1MELKFLT3
SCHEMBL958042 0.87 PRKD1 (0.85) PRKD1MELKFLT3
SCHEMBL1058483 0.86 PRKD1 (1.00) PRKD1MELKROCK2
SCHEMBL936241 0.85 PRKD1 (0.80) PRKD1MELKFLT3WDR5
SCHEMBL937024 0.84 PRKD1 (0.78) PRKD1MELKFLT3
SCHEMBL6922259 0.83 PRKD1 (0.84) PRKD1
SCHEMBL965101 0.81 PRKD1 (0.87) PRKD1FLT3
SCHEMBL6923111 0.80 PRKD1 (1.00) PRKD1MELKFLT3
SCHEMBL1049058 0.79 PRKD1 (0.86) PRKD1MELKFLT3
SCHEMBL1059135 0.78 PRKD1 (0.73) PRKD1FLT3

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