SCHEMBL25877128

SCHEMBL25877128

CC(=O)c1ccnc(N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.48
PTGS2 P35354 1/20 0.48
PIK3R1 P27986 2/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CB P42338 1/20 0.48
ACACB O00763 3/20 0.47
EIF2AK2 P19525 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.45
ACHE P22303 2/20 0.45
HTT P42858 3/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
MGLL Q99685 1/20 0.44
MTOR P42345 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3116636 0.86 POLB (0.54) PIK3CAPIK3R1PIK3CDPIK3CBEIF2AK2
SCHEMBL3112205 0.86 HTT (0.58) PIK3CAPIK3R1PIK3CDPIK3CBACACB
SCHEMBL31706055 0.86 POLB (0.54) PIK3CAPIK3R1PIK3CDPIK3CBEIF2AK2
SCHEMBL2035264 0.86 POLB (0.51) PTGS2ACACBNPC1RAB9APOLB
SCHEMBL28071006 0.84 POLB (0.54) PTGS2ACACBNPC1RAB9APOLB
SCHEMBL20745726 0.84 CRBN (0.53) PIK3CAPIK3R1PIK3CDPIK3CBACACB
SCHEMBL25877125 0.84 PIK3CA (0.45) PIK3CAPIK3R1PIK3CDPIK3CBACACB
Lithium Ion SCHEMBL31705478 0.84 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CBACACB
SCHEMBL7457917 0.81 PIK3CA (0.59) PIK3CAACACBPOLBLMNAHSD17B10
SCHEMBL29484630 0.78 ALDH1A1 (0.56) PIK3CAPOLBACHEHTTHSD17B10

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-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed