SCHEMBL958407

SCHEMBL958407

Cc1c(C(=O)NCC#N)cccc1-c1cc(-c2ccc(N3CCN(C)CC3)cc2)on1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 7/20 0.72
CTSK P43235 7/20 0.46
CTSL P07711 4/20 0.46
JAK2 O60674 5/20 0.45
JAK3 P52333 3/20 0.45
CTSB P07858 6/20 0.45
CTSS P25774 5/20 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 0.84 PRKD1 (1.00) PRKD1CTSKCTSLJAK2JAK3
SCHEMBL6923791 0.81 PRKD1 (0.95) PRKD1CTSKCTSLJAK2JAK3
SCHEMBL958404 0.77 PRKD1 (0.85) PRKD1CTSKCTSLJAK2
SCHEMBL1056918 0.73 PRKD1 (0.76) PRKD1CTSKCTSLJAK2JAK3
SCHEMBL936000 0.72 PRKD1 (0.78) PRKD1JAK2JAK3
SCHEMBL6923773 0.72 PRKD1 (0.78) PRKD1JAK2
SCHEMBL936598 0.72 PRKD1 (1.00) PRKD1
SCHEMBL936600 0.72 PRKD1 (1.00) PRKD1
SCHEMBL936281 0.71 PRKD1 (0.73) PRKD1CTSK
SCHEMBL936790 0.71 PRKD1 (0.76) 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