SCHEMBL30140331

SCHEMBL30140331

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(N)cc2F)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.58
PDE4B Q07343 4/20 0.51
PIK3CD O00329 3/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
PDE4D Q08499 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
NR1H2 P55055 1/20 0.46
KDM1A O60341 1/20 0.46
USP30 Q70CQ3 1/20 0.46
DPP4 P27487 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13419720 1.00 GPR119 (0.58) GPR119PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL13419722 0.94 PDE4B (0.52) GPR119PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL5971305 0.93 GPR119 (0.66) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL16980860 0.91 GPR119 (0.51) GPR119PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL16980643 0.91 GPR119 (0.51) GPR119PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL4201003 0.91 GPR119 (0.52) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL30912524 0.88 PDE4B (0.52) GPR119PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL30912511 0.88 PDE4B (0.52) GPR119PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL4202107 0.87 PDE4B (0.59) GPR119PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL20439353 0.87 GPR119 (0.58) GPR119PDE4BPIK3CDPIK3CAPIK3CB

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-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed