SCHEMBL17801088

SCHEMBL17801088

CC(C)(C)C1C(c2nc(-c3ccc4[nH]nc(-c5cccc(C(=O)NC6CC6)c5)c4c3)n[nH]2)CCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.52
DYRK1A Q13627 7/20 0.42
WNT1 P04628 4/20 0.42
CSNK1D P48730 1/20 0.42
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL17801036 0.78 USP30 (0.51) MAP3K5CSNK1DLRRK2
SCHEMBL17801053 0.77 MAP3K5 (0.55) MAP3K5DYRK1AWNT1CSNK1DLRRK2
SCHEMBL17801033 0.77 MAP3K5 (0.55) MAP3K5DYRK1AWNT1CSNK1DLRRK2
SCHEMBL17801074 0.74 MAP3K5 (0.55) MAP3K5DYRK1AWNT1CSNK1DLRRK2
SCHEMBL5388782 0.74 MAP3K5 (0.62) MAP3K5DYRK1AWNT1CSNK1DLRRK2
SCHEMBL17801027 0.73 MAP3K5 (0.56) MAP3K5DYRK1AWNT1CSNK1DLRRK2
SCHEMBL17801012 0.73 MAP3K5 (0.54) MAP3K5DYRK1AWNT1CSNK1DLRRK2
SCHEMBL8257307 0.73 MAP3K5 (0.61) MAP3K5DYRK1AWNT1LRRK2
SCHEMBL17801091 0.72 CPT1A (0.60) MAP3K5
SCHEMBL5389216 0.72 MAP3K5 (0.58) MAP3K5DYRK1AWNT1CSNK1D

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