SCHEMBL958404

SCHEMBL958404

CN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)NCCC#N)c4)no3)cc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 17/20 0.85
PRKD3 O94806 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
JAK2 O60674 1/20 0.46
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
CTSL P07711 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL936515 0.92 PRKD1 (1.00) PRKD1JAK2CTSLCTSK
SCHEMBL6923791 0.89 PRKD1 (0.95) PRKD1JAK2KDM1AHDAC1CTSL
SCHEMBL936790 0.84 PRKD1 (0.76) PRKD1KDM1AHDAC1
SCHEMBL936598 0.83 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL936600 0.83 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL936281 0.82 PRKD1 (0.73) PRKD1PRKD3PRKD2CTSK
SCHEMBL936181 0.82 PRKD1 (1.00) PRKD1
SCHEMBL957994 0.82 PRKD1 (0.81) PRKD1PRKD3PRKD2
SCHEMBL6923687 0.81 PRKD1 (0.72) PRKD1KDM1AHDAC1
SCHEMBL937242 0.80 PRKD1 (0.70) 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 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