SCHEMBL16334446

SCHEMBL16334446

CCCS(=O)(=O)c1cc2c(cc1OC)OCc1c(C(=O)N3CCOCC3(C)C)nn(-c3ccsc3)c1-2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.32
▸ PIK3R2 O00459 4/20 0.32
▸ PIK3CA P42336 4/20 0.32
▸ PIK3CB P42338 4/20 0.32
▸ PIK3CG P48736 4/20 0.32
▸ PIK3R5 Q8WYR1 4/20 0.32
▸ PIK3R3 Q92569 4/20 0.32
▸ UGCG Q16739 2/20 0.31

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
SCHEMBL16334311 0.92 CNR2 (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377805 0.90 PIK3CD (0.35) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16334443 0.89 PIK3CD (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17783226 0.87 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377729 0.86 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16340545 0.85 CCNA2 (0.35) —
SCHEMBL16377733 0.85 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17789666 0.85 PIK3CD (0.33) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377776 0.84 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL22626519 0.84 PIK3CD (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013832-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF Merck Patent GmbH (DE) 2016-05-04 — — EP disclosed
WO-2014209980-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 — — WO disclosed
Send feedback