SCHEMBL17801036

SCHEMBL17801036

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4[nH]nc(-c5cccc(C(=O)NC6CC6)c5)c4c3)n[nH]2)C1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.51
MAP3K5 Q99683 1/20 0.51
IGF1R P08069 1/20 0.43
HPGDS O60760 1/20 0.42
CSNK1D P48730 1/20 0.42
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL17801083 0.81 HPGDS (0.45) HPGDS
SCHEMBL17801033 0.79 MAP3K5 (0.55) MAP3K5CSNK1DLRRK2
SCHEMBL17801088 0.78 MAP3K5 (0.52) MAP3K5CSNK1DLRRK2
SCHEMBL17801053 0.78 MAP3K5 (0.55) MAP3K5CSNK1DLRRK2
SCHEMBL2731621 0.78 HPGDS (0.46) USP30HPGDS
SCHEMBL2731625 0.78 HPGDS (0.46) USP30HPGDS
SCHEMBL17801043 0.77 GPR119 (0.48) HPGDS
SCHEMBL17801054 0.77 CPT1A (0.55) MAP3K5
SCHEMBL17801068 0.76 HTT (0.47) HPGDS
SCHEMBL17801010 0.74 HCRTR2 (0.44)

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-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed