SCHEMBL26051145

SCHEMBL26051145

CC(C)c1sc(N2CCOCC2)nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 4/20 0.40
SMN1; SMN2 Q16637 7/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 2/20 0.39
CNR2 P34972 1/20 0.39
AR P10275 2/20 0.39
ALOX15 P16050 1/20 0.38
PIK3CG P48736 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL26051147 0.80 AR (0.51) PIK3CDPIK3CAPIK3CBSMN1; SMN2KDM4E
SCHEMBL12219870 0.78 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBSMN1; SMN2KDM4E
SCHEMBL12086425 0.78 LMNA (0.47) PIK3CDPIK3CAPIK3CBSMN1; SMN2KDM4E
SCHEMBL16558715 0.77 ALOX15 (0.47) PIK3CDPIK3CAPIK3CBSMN1; SMN2KDM4E
SCHEMBL27843089 0.73 AR (0.42) PIK3CDPIK3CAPIK3CBSMN1; SMN2KDM4E
SCHEMBL31596098 0.73 ALDH1A1 (0.54) PIK3CDPIK3CAPIK3CBSMN1; SMN2KDM4E
SCHEMBL2340680 0.72 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBSMN1; SMN2KDM4E
SCHEMBL2334075 0.69 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBSMN1; SMN2KDM4E
SCHEMBL28003501 0.68 KMT2A (0.44) PIK3CDPIK3CAPIK3CBSMN1; SMN2KDM4E
SCHEMBL20365562 0.68 TACR2 (0.39) PIK3CDPIK3CAPIK3CBSMN1; SMN2KDM4E

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
WO-2023164233-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed