SCHEMBL6923731

SCHEMBL6923731

CN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)NC5(C#N)CC5)c4)on3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 17/20 0.70
MAP4K1 Q92918 1/20 0.43
PRKD3 O94806 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
CTSK P43235 1/20 0.40

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
SCHEMBL936281 0.97 PRKD1 (0.73) PRKD1MAP4K1PRKD3PRKD2CTSK
SCHEMBL6923791 0.85 PRKD1 (0.95) PRKD1KDM1AHDAC1CTSK
SCHEMBL936515 0.82 PRKD1 (1.00) PRKD1CTSK
SCHEMBL958900 0.82 PRKD1 (0.77) PRKD1MAP4K1PRKD3PRKD2
SCHEMBL6923010 0.82 PRKD1 (0.73) PRKD1MAP4K1
SCHEMBL935473 0.81 PRKD1 (0.67) PRKD1
SCHEMBL936598 0.81 PRKD1 (1.00) PRKD1MAP4K1PRKD3PRKD2
SCHEMBL936600 0.81 PRKD1 (1.00) PRKD1MAP4K1PRKD3PRKD2
SCHEMBL958404 0.80 PRKD1 (0.85) PRKD1PRKD3PRKD2KDM1AHDAC1
SCHEMBL957994 0.79 PRKD1 (0.81) PRKD1MAP4K1PRKD3PRKD2

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