SCHEMBL27900007

SCHEMBL27900007

CCS(=O)(=O)Oc1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
PIK3CA P42336 18/20 0.47
PIK3R1 P27986 8/20 0.47
PIK3CD O00329 9/20 0.43
PIK3CB P42338 8/20 0.43
PIK3CG P48736 8/20 0.43
MTOR P42345 4/20 0.42

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
SCHEMBL1623283 0.84 SMN1; SMN2 (0.60) SMN1; SMN2PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1300566 0.80 PIK3CA (0.52) SMN1; SMN2PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1621374 0.80 SMN1; SMN2 (0.49) SMN1; SMN2PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL7898875 0.79 PIK3CA (0.56) SMN1; SMN2PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL4070882 0.79 PIK3CA (0.50) SMN1; SMN2PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1862672 0.78 PIK3CA (0.53) SMN1; SMN2PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1862201 0.77 PIK3CA (0.67) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1285075 0.77 PIK3CA (0.46) SMN1; SMN2PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL4437479 0.77 PIK3CA (0.56) SMN1; SMN2PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1181732 0.77 PIK3CA (0.46) SMN1; SMN2PIK3CAPIK3R1PIK3CDPIK3CB

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-102812167-A Ligand-mediated covalent modification of proteins AVILA THERAPEUTICS INC 2012-12-05 CN disclosed