SCHEMBL998166

SCHEMBL998166

NC(=O)c1nc(C2CC2)c(-c2nnc[nH]2)c(N2CCCC(O)C2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.36
LRRK2 Q5S007 6/20 0.35
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAP4K1 Q92918 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
NAMPT P43490 2/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32

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
SCHEMBL992382 0.73 RAD52 (0.33)
SCHEMBL978876 0.69 IKBKB (0.33) LRRK2
SCHEMBL16343636 0.67 CAMK1D (0.42) LRRK2MAP4K1
SCHEMBL15153084 0.65 IKBKB (0.36) KDM4E
SCHEMBL15824322 0.63 PIK3CA (0.30)
SCHEMBL980674 0.62 MAP2 (0.32) LRRK2
SCHEMBL998164 0.62 ROCK1 (0.37) PDE10ALRRK2GAAMAPTCCNE2
SCHEMBL986288 0.62 FYN (0.38) LRRK2KDM4ECDK2
SCHEMBL986290 0.62 DYRK1B (0.39) CCNE2CCNE1CDK2
SCHEMBL15405753 0.62 KCNMA1 (0.44) PDE10AMAPTSMARCA2SMARCA4PBRM1

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-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO disclosed