SCHEMBL6028146

SCHEMBL6028146

Cc1ccc2nnc(N)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.54
NQO2 P16083 1/20 0.52
SRC P12931 4/20 0.50
PIK3CG P48736 1/20 0.50
PABPC1 P11940 1/20 0.50
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
NCK1 P16333 1/20 0.47
BACE1 P56817 1/20 0.47
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 2/20 0.42
HRH4 Q9H3N8 2/20 0.41

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
SCHEMBL15241793 0.76 NQO2 (0.64) NQO2KDM4EMAPTNCK1BACE1
SCHEMBL8749414 0.75 NQO2 (0.52) NQO2KDM4EMAPTNCK1BACE1
SCHEMBL5997520 0.75 PIK3CG (0.85) PDPK1SRCPIK3CGPABPC1KDM4E
SCHEMBL5995514 0.75 PDPK1 (0.54) PDPK1SRCPIK3CGPABPC1KDM4E
SCHEMBL18873137 0.75 NQO2 (0.57) NQO2KDM4EMAPTNCK1BACE1
SCHEMBL30745612 0.75 NQO2 (0.70) NQO2KDM4EMAPTNCK1BACE1
SCHEMBL434975 0.75 NQO2 (0.70) NQO2KDM4EMAPTNCK1BACE1
SCHEMBL5995026 0.75 MEN1 (0.56) PDPK1NQO2SRCPIK3CGPABPC1
SCHEMBL15095319 0.75 PIK3CG (0.46) PDPK1SRCPIK3CGPABPC1NCK1
SCHEMBL2756741 0.74 NQO2 (0.85) NQO2KDM4EMAPTNCK1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723125-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES Auckland Uniservices Limited (NZ) 2006-11-22 EP claimed
WO-2005082867-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES AUCKLAND UNISERVICES LIMITED (NZ) 2005-09-09 WO claimed
EP-1723125-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES Auckland Uniservices Limited (NZ) 2006-11-22 EP disclosed
WO-2005082867-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES AUCKLAND UNISERVICES LIMITED (NZ) 2005-09-09 WO disclosed