SCHEMBL6924016

SCHEMBL6924016

CN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)N[C@H](O)C(N)=O)c4)n[nH]3)cc2Cl)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 18/20 0.67
MELK Q14680 1/20 0.43
FLT3 P36888 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
SCHEMBL6922426 0.90 PRKD1 (0.82) PRKD1MELK
SCHEMBL1056933 0.86 PRKD1 (0.68) PRKD1
SCHEMBL936747 0.86 PRKD1 (0.68) PRKD1
SCHEMBL960572 0.83 PRKD1 (0.64) PRKD1MELKFLT3
SCHEMBL936340 0.82 PRKD1 (0.83) PRKD1MELKFLT3
SCHEMBL937395 0.80 PRKD1 (1.00) PRKD1
SCHEMBL1083601 0.80 PRKD1 (0.81) PRKD1MELK
SCHEMBL965101 0.80 PRKD1 (0.87) PRKD1FLT3
SCHEMBL958042 0.80 PRKD1 (0.85) PRKD1MELKFLT3
SCHEMBL958041 0.80 PRKD1 (0.85) 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