SCHEMBL13188554

SCHEMBL13188554

CC(C)(CF)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccc(S(C)(=O)=O)c4)nc3s2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABL1 P00519 2/20 0.37
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 4/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL13188532 0.93 DYRK1A (0.41) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL3711298 0.93 DYRK1A (0.43) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL13188683 0.91 PIK3CG (0.36) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL13188393 0.88 ABL1 (0.47) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL13188159 0.86 ABL1 (0.39) DYRK1AABL1PIK3CAPIK3CG
SCHEMBL13188684 0.84 PIK3CG (0.36) DYRK1ANPC1RAB9AABL1KDM4E
SCHEMBL3708403 0.83 ABL1 (0.37) DYRK1ANPC1RAB9AMEN1KMT2A
SCHEMBL13188602 0.81 DYRK1A (0.38) DYRK1AABL1PIK3CAPIK3CDPIK3CG
SCHEMBL13188390 0.81 ABL1 (0.47) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL13188603 0.81 PIK3CG (0.36) DYRK1AABL1PIK3CAPIK3CDPIK3CG

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
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed