SCHEMBL3724784

SCHEMBL3724784

O=C(O)c1cc(-c2cn[nH]c2)cs1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALAD P13716 2/20 0.50
GPR35 Q9HC97 1/20 0.46
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
DAO P14920 3/20 0.42
MARK3 P27448 1/20 0.41
ROCK2 O75116 6/20 0.41
LDHA P00338 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ERN1 O75460 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
SCHEMBL3721441 0.86 DYRK1A (0.44) ALADGPR35DYRK1ADYRK1BAKT1
SCHEMBL939164 0.72 GPR35 (0.45) GPR35DYRK1ADYRK1BAKT1AKT2
SCHEMBL4381926 0.72 ALAD (0.66) ALADIKBKETBK1DAOHDAC6
SCHEMBL3506781 0.72 AKT1 (0.48) GPR35AKT1AKT2ROCK2ERN1
SCHEMBL505511 0.71 ALAD (0.70) ALADDAOHDAC6
SCHEMBL6143622 0.70 ALAD (0.69) ALADIKBKETBK1DAOHDAC6
SCHEMBL3725272 0.70 ALDH1A1 (0.57) GPR35AKT1AKT2IKBKETBK1
SCHEMBL26682346 0.70 ALAD (0.50) ALADDYRK1AIKBKETBK1DAO
SCHEMBL3725804 0.70 DAO (0.46) GPR35AKT1AKT2DAOROCK2
SCHEMBL3724691 0.70 GPR35 (0.52) GPR35AKT1AKT2DAOROCK2

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
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed