SCHEMBL6015859

SCHEMBL6015859

C=C1C(=O)NSc2cccc(-c3cn[nH]c3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
ROCK2 O75116 3/20 0.31
ROCK1 Q13464 2/20 0.31
FEN1 P39748 1/20 0.31
ILK Q13418 1/20 0.31
FLT3 P36888 2/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
TPX2 Q9ULW0 1/20 0.30
BMPR1B O00238 1/20 0.30
KDR P35968 1/20 0.30
BMPR1A P36894 1/20 0.30

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
SCHEMBL6016048 0.70 PRKCB (0.44)
SCHEMBL14352118 0.70 AURKA (0.52) PDK2AKT1AKT2ADRA1DADRA1A
SCHEMBL30775262 0.63 CLK4 (0.50) ADRA1DADRA1AADRA1BROCK2ROCK1
SCHEMBL27256764 0.61 AKT1 (0.46) PDK2AKT1AKT2ADRA1DADRA1A
SCHEMBL17303474 0.61 AKT2 (0.55) PDK2AKT1AKT2ROCK2ROCK1
SCHEMBL30823569 0.61 AKT2 (0.59) PDK2AKT1AKT2ADRA1DADRA1A
SCHEMBL28552255 0.61 AKT2 (0.72) PDK2AKT1AKT2ADRA1DADRA1A
SCHEMBL30823568 0.61 AKT2 (0.59) PDK2AKT1AKT2ADRA1DADRA1A
SCHEMBL15698609 0.60 PDK2 (0.47) PDK2AKT1AKT2PDE3BPDE3A
SCHEMBL16058512 0.60 AKT2 (0.48) PDK2AKT1AKT2ADRA1DADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed