SCHEMBL29907257

SCHEMBL29907257

CC(C)(C)OC(=O)N1CCC(c2cccc3c2ncn3COCC[Si](C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
GPR119 Q8TDV5 6/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HPGDS O60760 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL27138591 1.00 SMN1; SMN2 (0.40) SMN1; SMN2GAATHRBJAK2JAK1
SCHEMBL23122466 0.91 IDO1 (0.37) JAK2JAK1KDM4EALOX5APFEN1
SCHEMBL29745121 0.78 PDE4B (0.38)
SCHEMBL27144161 0.78 PDK4 (0.49)
SCHEMBL29907270 0.78 PDK4 (0.49)
SCHEMBL23123609 0.78 PDE4B (0.38)
SCHEMBL12874664 0.78 GPR119 (0.42) SMN1; SMN2GAATHRBJAK2JAK1
SCHEMBL22009848 0.77 ALOX5AP (0.43) SMN1; SMN2GAATHRBJAK2JAK3
SCHEMBL29557180 0.77 ALOX5AP (0.43) SMN1; SMN2GAATHRBJAK2JAK3
SCHEMBL22467518 0.74 GPR119 (0.44) SMN1; SMN2GAATHRBGPR119HPGDS

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-4326719-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-02-28 EP disclosed
WO-2022221939-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE UNIVERSITE DE MONTREAL (CA) 2022-10-27 WO disclosed