SCHEMBL21587675

SCHEMBL21587675

COC[C@H]1Cn2cc(Br)nc2C(=O)N1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.30
▸ 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
SCHEMBL24879797 0.86 LRRK2 (0.33) ALOX5LRRK2
SCHEMBL26831240 0.74 — —
SCHEMBL21587654 0.74 ALOX5 (0.31) ALOX5
SCHEMBL23203252 0.74 ALOX5 (0.31) ALOX5
SCHEMBL18839128 0.74 MAPK3 (0.37) —
SCHEMBL18839049 0.74 MAPK3 (0.37) —
SCHEMBL18839050 0.74 MAPK3 (0.37) —
SCHEMBL29862468 0.71 MAPK3 (0.36) —
SCHEMBL30113944 0.70 PIK3C3 (0.31) ALOX5LRRK2
SCHEMBL30929040 0.68 ALOX5 (0.37) ALOX5LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805217-A1 ERK INHIBITOR AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2021-04-14 — — EP disclosed
WO-2019233457-A1 ERK INHIBITOR AND USE THEREOF 贝达药业股份有限公司 (CN) 2019-12-12 — — WO disclosed
WO-2019233456-A1 ERK INHIBITOR AND USE THEREOF 贝达药业股份有限公司 (CN) 2019-12-12 — — WO disclosed
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