SCHEMBL4582484

SCHEMBL4582484

COc1c(C(=O)O)sc(-c2ccnc3c2ccn3S(=O)(=O)c2ccccc2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
HTR6 P50406 6/20 0.38
PTPN1 P18031 8/20 0.37
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FABP4 P15090 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL8242820 0.93 PIK3C3 (0.40) CYP2C19PIK3C3HTR6POLBL3MBTL1
SCHEMBL4582645 0.87 CYP2C19 (0.42) CYP2C19PIK3C3HTR6L3MBTL1DRD2
SCHEMBL4582735 0.86 CYP2C19 (0.41) CYP2C19PIK3C3HTR6L3MBTL1DRD2
SCHEMBL4584711 0.84 PIK3C3 (0.40) CYP2C19PIK3C3HTR6L3MBTL1MEN1
SCHEMBL4612732 0.84 PIK3C3 (0.42) CYP2C19PIK3C3HTR6L3MBTL1MEN1
SCHEMBL4582702 0.78 HTR6 (0.36) PIK3C3HTR6POLBMEN1KMT2A
SCHEMBL4591926 0.76 AKT1 (0.43) CYP2C19PIK3C3HTR6L3MBTL1
SCHEMBL8242841 0.74 PIK3C3 (0.33) PIK3C3HTR6MEN1KMT2A
SCHEMBL4633196 0.73 CYP2C19 (0.46) CYP2C19PIK3C3HTR6POLBL3MBTL1
SCHEMBL27848203 0.72 CYP2C19 (0.45) CYP2C19PIK3C3HTR6L3MBTL1DRD2

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-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed