SCHEMBL4636797

SCHEMBL4636797

CNc1ncnc2ccc(C=C3SC(=O)NC3=O)cc12.COc1ncnc2ccc(C=C3SC(=O)NC3=O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.48
PIM2 Q9P1W9 4/20 0.48
DYRK1A Q13627 3/20 0.48
PIK3CD O00329 2/20 0.48
CSNK2A2 P19784 2/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
MTOR P42345 2/20 0.48
PIK3CG P48736 2/20 0.48
CLK1 P49759 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CSNK2A1 P68400 2/20 0.48
PIM3 Q86V86 2/20 0.48
MAOB P27338 1/20 0.48
CSNK2B P67870 1/20 0.48
DYRK2 Q92630 1/20 0.48
CISD1 Q9NZ45 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
PDE4B Q07343 1/20 0.48

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
SCHEMBL4636794 1.00 PIM1 (0.48) PIM1PIM2DYRK1APIK3CDCSNK2A2
SCHEMBL2877560 0.92 CISD1 (0.56) PIM1PIM2DYRK1APIK3CDCSNK2A2
SCHEMBL12975471 0.92 CISD1 (0.56) PIM1PIM2DYRK1APIK3CDCSNK2A2
SCHEMBL2877564 0.92 CISD1 (0.56) PIM1PIM2DYRK1APIK3CDCSNK2A2
SCHEMBL2882652 0.92 PIM1 (0.56) PIM1PIM2DYRK1APIK3CDCSNK2A2
SCHEMBL12975474 0.92 PIM1 (0.56) PIM1PIM2DYRK1APIK3CDCSNK2A2
SCHEMBL2882650 0.92 PIM1 (0.56) PIM1PIM2DYRK1APIK3CDCSNK2A2
SCHEMBL12975478 0.82 MEN1 (0.50) PIM1DYRK1APIK3CDCSNK2A2PIK3CA
SCHEMBL2882464 0.82 MEN1 (0.50) PIM1DYRK1APIK3CDCSNK2A2PIK3CA
SCHEMBL2882465 0.82 MEN1 (0.50) PIM1DYRK1APIK3CDCSNK2A2PIK3CA

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-1931424-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2008-06-18 EP disclosed
WO-2007030360-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2007-03-15 WO disclosed