SCHEMBL31258476

SCHEMBL31258476

CC(C)(C)OC(=O)N1C2CCCC1(Oc1cc3c(Cl)ncnc3cn1)CC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.37
IRAK4 Q9NWZ3 1/20 0.33
PIK3CA P42336 3/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
GPR119 Q8TDV5 5/20 0.31
HCAR1 Q9BXC0 1/20 0.31
EPHA2 P29317 3/20 0.31
EPHB4 P54760 3/20 0.31
KDR P35968 2/20 0.31
ERBB2 P04626 2/20 0.31
MAPK7 Q13164 1/20 0.31
POLB P06746 1/20 0.31
DGAT1 O75907 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL31258474 0.85 ENPP1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGEPHA2
SCHEMBL26111113 0.75 GPR119 (0.49) PIK3CDIRAK4GPR119
SCHEMBL30639958 0.75 GPR119 (0.49) PIK3CDIRAK4GPR119
SCHEMBL30140141 0.72 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL30264691 0.70 EPHA2 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL30127386 0.69 HPGDS (0.45) PIK3CDIRAK4PIK3CAPIK3CBPIK3CG
SCHEMBL28983490 0.68 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL1074518 0.67 DDB1 (0.33) GPR119POLB
SCHEMBL31377604 0.67 ERBB2 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL30639974 0.67 ERBB2 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGGPR119

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
CN-118715216-A Nitrogen-containing heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-09-27 CN disclosed