SCHEMBL935870

SCHEMBL935870

CC(C#N)NC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)nc3)on2)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 14/20 0.79
PRKD3 O94806 1/20 0.55
PRKD2 Q9BZL6 1/20 0.55
FYN P06241 2/20 0.42
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL936600 0.88 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL936598 0.88 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL936000 0.86 PRKD1 (0.78) PRKD1PRKD3PRKD2FYNHDAC3
SCHEMBL935479 0.85 PRKD1 (0.79) PRKD1PRKD3PRKD2
SCHEMBL6923082 0.79 PRKD1 (0.77) PRKD1PRKD3PRKD2
SCHEMBL936969 0.79 PRKD1 (0.77) PRKD1PRKD3PRKD2
SCHEMBL957994 0.78 PRKD1 (0.81) PRKD1PRKD3PRKD2
SCHEMBL958900 0.77 PRKD1 (0.77) PRKD1PRKD3PRKD2
SCHEMBL938421 0.77 PRKD1 (0.81) PRKD1PRKD3PRKD2FYN
SCHEMBL935481 0.77 PRKD1 (0.72) 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