SCHEMBL31290195

SCHEMBL31290195

Nc1ncc(-c2nc(N3CCOCC3)c3sc(/C=C/C(=O)NCCO)cc3n2)cn1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.57
MTOR P42345 7/20 0.57
PIK3CD O00329 16/20 0.56
PIK3CB P42338 16/20 0.56
PIK3CG P48736 16/20 0.56
SYK P43405 1/20 0.56
MAP3K9 P80192 1/20 0.56
AKT1 P31749 1/20 0.53

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
SCHEMBL31290160 0.90 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31290119 0.86 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31290140 0.82 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4446943 0.81 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31290042 0.80 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31290230 0.80 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4437336 0.79 PIK3CA (0.69) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31290095 0.79 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31290045 0.78 HDAC1 (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4438405 0.78 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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-119161359-A Novel 4-morpholinyl thieno [3,2-d ] pyrimidine compound containing acrylamide structure and application thereof 辽宁大学 2024-12-20 CN disclosed