SCHEMBL960572

SCHEMBL960572

COC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)c(Cl)c3)[nH]n2)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 13/20 0.64
WDR5 P61964 2/20 0.50
MELK Q14680 1/20 0.48
KMT2A Q03164 1/20 0.47
PAK1 Q13153 1/20 0.44
FLT3 P36888 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL936826 0.90 PRKD1 (0.79) PRKD1WDR5MELKKMT2AFLT3
SCHEMBL6922426 0.88 PRKD1 (0.82) PRKD1WDR5MELKKMT2A
SCHEMBL936241 0.86 PRKD1 (0.80) PRKD1WDR5MELKFLT3
SCHEMBL937642 0.86 PRKD1 (0.77) PRKD1MELKFLT3
SCHEMBL936340 0.84 PRKD1 (0.83) PRKD1MELKPAK1FLT3BCHE
SCHEMBL6924016 0.83 PRKD1 (0.67) PRKD1MELKFLT3
SCHEMBL936770 0.83 PRKD1 (0.59) PRKD1MELKFLT3
SCHEMBL1056933 0.82 PRKD1 (0.68) PRKD1
SCHEMBL936747 0.82 PRKD1 (0.68) PRKD1
SCHEMBL17279928 0.80 MAPT (0.54) PRKD1BCHEACHE

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