SCHEMBL18082584

SCHEMBL18082584

C=C(c1nn(CC(C)C)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.81
PIK3R2 O00459 20/20 0.81
PIK3CA P42336 20/20 0.81
PIK3CB P42338 20/20 0.81
PIK3CG P48736 20/20 0.81
PIK3R5 Q8WYR1 20/20 0.81
PIK3R3 Q92569 20/20 0.81

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
SCHEMBL7050 0.90 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082599 0.81 PIK3CD (0.82) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12952 0.79 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082823 0.78 PIK3CD (0.86) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082562 0.77 PIK3CD (0.81) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082844 0.77 PIK3CD (0.81) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082570 0.77 PIK3CD (0.74) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082568 0.77 PIK3CD (0.71) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13128 0.77 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12573 0.76 PIK3CD (1.00) 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
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed