SCHEMBL13272

SCHEMBL13272

B=S1(=O)Cc2c(C(=O)O)nn(-c3ccccc3)c2-c2cccc(C(N)=O)c21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.62
PIK3R2 O00459 19/20 0.62
PIK3CA P42336 19/20 0.62
PIK3CB P42338 19/20 0.62
PIK3CG P48736 19/20 0.62
PIK3R5 Q8WYR1 19/20 0.62
PIK3R3 Q92569 19/20 0.62
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 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
SCHEMBL12276321 0.89 PIK3CD (0.75) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082706 0.81 CCNA2 (0.56) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12606 0.77 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7185 0.76 PIK3CD (0.74) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL8167 0.76 PIK3CD (0.74) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7516 0.75 PIK3CD (0.57) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7170 0.74 PIK3CD (0.71) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7202 0.74 PIK3CD (0.76) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12984 0.73 PIK3CD (0.73) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12275160 0.70 PIK3CD (0.73) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed