SCHEMBL21535643

SCHEMBL21535643

CC(C)(C)OC(=O)N1CCC(Oc2cncc(F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.48
GPR119 Q8TDV5 4/20 0.48
ABHD6 Q9BV23 3/20 0.47
USP30 Q70CQ3 1/20 0.47
PIK3CA P42336 3/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44

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
SCHEMBL29686295 1.00 PIK3CD (0.48) PIK3CDGPR119ABHD6USP30PIK3CA
SCHEMBL2775170 0.93 GPR119 (0.54) GPR119ABHD6
SCHEMBL30845436 0.91 ABHD6 (0.50) GPR119ABHD6USP30
SCHEMBL29686325 0.87 PIK3CD (0.49) PIK3CDGPR119USP30PIK3CAPIK3CB
SCHEMBL7466564 0.87 PIK3CD (0.49) PIK3CDGPR119USP30PIK3CAPIK3CB
SCHEMBL22278273 0.87 GPR119 (0.52) PIK3CDGPR119USP30PIK3CAPIK3CB
SCHEMBL22278189 0.87 GPR119 (0.52) PIK3CDGPR119USP30PIK3CAPIK3CB
SCHEMBL22278188 0.87 GPR119 (0.52) PIK3CDGPR119USP30PIK3CAPIK3CB
SCHEMBL14778459 0.86 PIK3CD (0.48) PIK3CDGPR119USP30PIK3CAPIK3CB
SCHEMBL7463050 0.86 PIK3CD (0.48) PIK3CDGPR119USP30PIK3CAPIK3CB

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
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed