SCHEMBL936499

SCHEMBL936499

CC(C#N)NC(=O)c1cccc(-c2cc(-c3ccc(CN[C@@H](CO)C(C)C)cc3)on2)c1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 11/20 0.82
PRKD3 O94806 1/20 0.68
PRKD2 Q9BZL6 1/20 0.68
TRPV3 Q8NET8 9/20 0.44

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
SCHEMBL935976 1.00 PRKD1 (0.82) PRKD1PRKD3PRKD2TRPV3
SCHEMBL936497 1.00 PRKD1 (0.82) PRKD1PRKD3PRKD2TRPV3
SCHEMBL936642 0.91 PRKD1 (0.85) PRKD1PRKD3PRKD2
SCHEMBL936644 0.91 PRKD1 (0.85) PRKD1PRKD3PRKD2
SCHEMBL935844 0.90 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL935843 0.90 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL938420 0.87 PRKD1 (0.81) PRKD1PRKD3PRKD2
SCHEMBL938421 0.87 PRKD1 (0.81) PRKD1PRKD3PRKD2
SCHEMBL937989 0.82 PRKD1 (0.75) PRKD1PRKD3PRKD2
SCHEMBL937987 0.82 PRKD1 (0.75) 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