SCHEMBL959487

SCHEMBL959487

C[C@@H](NC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)on2)c1)C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 18/20 0.76
PRKD3 O94806 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
MAP4K1 Q92918 1/20 0.45
LIMK1 P53667 1/20 0.42

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
SCHEMBL959488 1.00 PRKD1 (0.76) PRKD1PRKD3PRKD2MAP4K1LIMK1
SCHEMBL957994 0.91 PRKD1 (0.81) PRKD1PRKD3PRKD2MAP4K1
SCHEMBL958900 0.88 PRKD1 (0.77) PRKD1PRKD3PRKD2MAP4K1
SCHEMBL961783 0.88 PRKD1 (0.60) PRKD1PRKD3PRKD2LIMK1
SCHEMBL961784 0.88 PRKD1 (0.60) PRKD1PRKD3PRKD2LIMK1
SCHEMBL935776 0.87 PRKD1 (0.59) PRKD1
SCHEMBL936600 0.86 PRKD1 (1.00) PRKD1PRKD3PRKD2MAP4K1
SCHEMBL936598 0.86 PRKD1 (1.00) PRKD1PRKD3PRKD2MAP4K1
SCHEMBL6922372 0.83 PRKD1 (0.70) PRKD1PRKD3PRKD2
SCHEMBL6923596 0.82 PRKD1 (0.68) PRKD1PRKD3PRKD2

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