SCHEMBL936600

SCHEMBL936600

CC(C#N)NC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)on2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 19/20 1.00
PRKD3 O94806 1/20 0.62
PRKD2 Q9BZL6 1/20 0.62
MAP4K1 Q92918 1/20 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
SCHEMBL936598 1.00 PRKD1 (1.00) PRKD1PRKD3PRKD2MAP4K1
SCHEMBL957994 0.90 PRKD1 (0.81) PRKD1PRKD3PRKD2MAP4K1
SCHEMBL935479 0.88 PRKD1 (0.79) PRKD1PRKD3PRKD2
SCHEMBL935870 0.88 PRKD1 (0.79) PRKD1PRKD3PRKD2
SCHEMBL958900 0.87 PRKD1 (0.77) PRKD1PRKD3PRKD2MAP4K1
SCHEMBL936969 0.87 PRKD1 (0.77) PRKD1PRKD3PRKD2
SCHEMBL6923082 0.87 PRKD1 (0.77) PRKD1PRKD3PRKD2
SCHEMBL959487 0.86 PRKD1 (0.76) PRKD1PRKD3PRKD2MAP4K1
SCHEMBL959488 0.86 PRKD1 (0.76) PRKD1PRKD3PRKD2MAP4K1
SCHEMBL936515 0.85 PRKD1 (1.00) PRKD1

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