SCHEMBL27975550

SCHEMBL27975550

C[C@@H](Nc1c(C#N)nnc2cc(-c3ccc(C[SH](=O)=O)cc3)ccc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.52
▸ EGFR P00533 5/20 0.41
▸ PRKDC P78527 4/20 0.41
▸ PIK3CA P42336 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PDE1C Q14123 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27975446 0.88 LRRK2 (0.67) LRRK2
SCHEMBL28813534 0.85 LRRK2 (0.70) LRRK2
SCHEMBL14059810 0.84 LRRK2 (0.65) LRRK2EGFRPRKDC
SCHEMBL14059811 0.84 LRRK2 (0.65) LRRK2EGFRPRKDC
SCHEMBL17135925 0.84 LRRK2 (0.65) LRRK2EGFRPRKDC
SCHEMBL28830335 0.83 LRRK2 (0.70) LRRK2
SCHEMBL28814172 0.82 LRRK2 (0.53) LRRK2
SCHEMBL14062231 0.82 LRRK2 (0.77) LRRK2
SCHEMBL14062230 0.82 LRRK2 (0.77) LRRK2
SCHEMBL28813306 0.82 LRRK2 (0.74) LRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN claimed
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN disclosed
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