SCHEMBL25877125

SCHEMBL25877125

CCC(=O)c1ccnc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.45
ACHE P22303 3/20 0.45
PIK3CD O00329 2/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CB P42338 1/20 0.45
EIF2AK2 P19525 1/20 0.44
ACACB O00763 3/20 0.43
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
MGLL Q99685 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MTOR P42345 3/20 0.41
PIK3CG P48736 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL27903086 0.87 GBA1 (0.43) ACHEACACBPOLBSMN1; SMN2LMNA
SCHEMBL25877128 0.84 PIK3CA (0.48) PIK3CAACHEPIK3CDPIK3R1PIK3CB
SCHEMBL7457917 0.83 PIK3CA (0.59) PIK3CAACACBPOLBSMN1; SMN2MAPK1
SCHEMBL31706055 0.82 POLB (0.54) PIK3CAACHEPIK3CDPIK3R1PIK3CB
SCHEMBL3116636 0.82 POLB (0.54) PIK3CAACHEPIK3CDPIK3R1PIK3CB
SCHEMBL3112205 0.82 HTT (0.58) PIK3CAACHEPIK3CDPIK3R1PIK3CB
SCHEMBL20745726 0.81 CRBN (0.53) PIK3CAACHEPIK3CDPIK3R1PIK3CB
Lithium Ion SCHEMBL31705478 0.80 PIK3CA (0.47) PIK3CAACHEPIK3CDPIK3R1PIK3CB
SCHEMBL17827961 0.76 PIK3CA (0.51) PIK3CAACHEPIK3CDPIK3R1PIK3CB
SCHEMBL18765579 0.76 PIK3CA (0.43) PIK3CAACHEPIK3CDPIK3R1PIK3CB

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