SCHEMBL23940374

SCHEMBL23940374

O=C1COCCN1c1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.40
F10 P00742 1/20 0.38
PIK3CD O00329 4/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CB P42338 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6405329 0.80 CRBN (0.49) PTGS2KDM4E
SCHEMBL22775726 0.74 CRBN (0.43) PTGS2F10PIK3CDPIK3CAPIK3CG
SCHEMBL6111335 0.73 IDH1 (0.40) KDM4E
SCHEMBL29865430 0.73 PTGS2 (0.52) PTGS2F10PIK3CA
SCHEMBL31205593 0.73 PTGS2 (0.49) PTGS2
SCHEMBL29865274 0.73 PTGS2 (0.40) PTGS2F10KDM4E
SCHEMBL28685626 0.72 L3MBTL1 (0.38) PTGS2F10PIK3CDPIK3CAPIK3CG
SCHEMBL198132 0.72 PTGS2 (0.57) PTGS2F10
SCHEMBL5740638 0.71 PTGS2 (0.48) PTGS2F10PIK3CA
SCHEMBL20898722 0.70 PTGS2 (0.36) PTGS2F10PIK3CDPIK3CAPIK3CG

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-3985001-A1 PHARMACEUTICAL COMPOSITION USEFUL IN INHIBITING IDH1 Les Laboratoires Servier SAS (FR) 2022-04-20 EP disclosed
EP-3447052-B1 METHODS OF PREPARING NEW IDH1 INHIBITORS LES LABORATOIRES SERVIER SAS (FR) 2021-10-20 EP disclosed