SCHEMBL18082685

SCHEMBL18082685

C=C(OCC)c1nn(C)c2c1CS(=O)(=O)c1cc(OC)ccc1-2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.62
▸ PIK3R2 O00459 5/20 0.62
▸ PIK3CA P42336 5/20 0.62
▸ PIK3CB P42338 5/20 0.62
▸ PIK3CG P48736 5/20 0.62
▸ PIK3R5 Q8WYR1 5/20 0.62
▸ PIK3R3 Q92569 5/20 0.62
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TP53 P04637 5/20 0.49
▸ THRB P10828 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ GAA P10253 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
SCHEMBL7046 0.89 PIK3CD (0.66) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7312 0.83 PIK3CD (0.71) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7738 0.77 PIK3CD (1.00) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7000 0.75 PIK3CD (0.68) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12686 0.73 PIK3CD (0.58) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7347 0.72 TP53 (0.66) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7172 0.71 PIK3CD (0.63) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL12275777 0.69 PIK3CD (0.63) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL7240 0.69 PIK3CD (0.75) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL19128204 0.69 CCNA2 (0.54) MAPTMEN1KMT2ATP53

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
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