SCHEMBL23014422

SCHEMBL23014422

COc1cc(C(=O)OC2CCOCC2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 1/20 0.46
▸ LRRK2 Q5S007 3/20 0.44
▸ PROKR1 Q8TCW9 3/20 0.44
▸ MAPT P10636 1/20 0.42
▸ EGLN1 Q9GZT9 3/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ KCNK3 O14649 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ PIK3CD O00329 1/20 0.38

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
SCHEMBL29587235 0.75 KDM4E (0.61) JMJD6PROKR1MAPTKCNK3KCNK9
SCHEMBL17761 0.75 KDM4E (0.61) JMJD6PROKR1MAPTKCNK3KCNK9
SCHEMBL17559434 0.74 IKBKE (0.51) LRRK2MAPTEGLN1PIK3CAPDE4D
SCHEMBL28560721 0.73 ATXN2 (0.41) JMJD6PIK3CA
SCHEMBL30533369 0.73 PROKR1 (0.50) PROKR1KCNK3KCNK9PDE4DPDE4B
SCHEMBL16319004 0.73 PROKR1 (0.50) PROKR1KCNK3KCNK9PDE4DPDE4B
SCHEMBL27841468 0.71 KCNK3 (0.52) PROKR1KCNK3KCNK9
SCHEMBL29210003 0.71 TLR9 (0.46) LRRK2PROKR1
SCHEMBL5185766 0.70 KMT2A (0.59) MAPT
SCHEMBL30755291 0.70 KDM4E (0.51) JMJD6LRRK2PIK3CAPIK3CD

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-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 — — WO disclosed
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