SCHEMBL20053882

SCHEMBL20053882

CNc1cc2n(n1)CC[S+]([O-])C2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL20054023 0.75
SCHEMBL26549023 0.70 NUDT1 (0.34)
SCHEMBL27054804 0.68 ROCK2 (0.39) LRRK2
SCHEMBL20053916 0.67 PDCD1 (0.44) LRRK2
SCHEMBL27329663 0.66 HTR2C (0.34) LRRK2
SCHEMBL26552315 0.59 ALDH1A1 (0.35) LRRK2
SCHEMBL26036421 0.57 ALDH1A1 (0.33) LRRK2
SCHEMBL21652590 0.56 MAP4K1 (0.34)
SCHEMBL12918492 0.55
SCHEMBL27601711 0.54 NOS3 (0.31)

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
EP-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 EP disclosed