SCHEMBL4670144

SCHEMBL4670144

CC(=O)N1CCOc2ccc(C=C3SC(=O)NC3=O)cc21.O=C1NC(=O)C(=Cc2ccc3c(c2)N(C(=O)c2ccccc2)CCO3)S1.O=C1NC(=O)C(=Cc2ccc3c(c2)NCCO3)S1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
NR3C2 P08235 1/20 0.43
HPGD P15428 5/20 0.41
NOTUM Q6P988 1/20 0.40
KMT2A Q03164 3/20 0.40
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CA P42336 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL12975565 0.88 GSK3B (0.56) GSK3BNR3C2HPGDKMT2APIM1
SCHEMBL2884894 0.88 GSK3B (0.56) GSK3BNR3C2HPGDKMT2APIM1
SCHEMBL2877773 0.84 GSK3B (0.60) GSK3BHPGDNOTUMPIM1PIM3
SCHEMBL12975564 0.84 GSK3B (0.60) GSK3BHPGDNOTUMPIM1PIM3
SCHEMBL6174177 0.80 PIK3CG (0.55) KMT2APIM1PIK3CGPIK3CARAB9A
SCHEMBL2880312 0.78 GSK3B (0.69) GSK3BHPGDPIM1PIM3PIM2
SCHEMBL12975558 0.78 GSK3B (0.69) GSK3BHPGDPIM1PIM3PIM2
SCHEMBL6173813 0.76 CSNK2A2 (0.59) PIK3CGPIK3CANPC1RAB9A
SCHEMBL6173818 0.76 CSNK2A2 (0.59) PIK3CGPIK3CANPC1RAB9A
SCHEMBL6835907 0.75 NAT1 (0.55) NR3C2KMT2APIM1PIK3CGPIK3CA

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