SCHEMBL7829960

SCHEMBL7829960

C=Cc1cc2ccccn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.45
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK7 P50613 1/20 0.42
TYRO3 Q06418 1/20 0.42
LRRK2 Q5S007 1/20 0.42
AURKB Q96GD4 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
HDAC4 P56524 1/20 0.35
TP53 P04637 7/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 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
SCHEMBL4127301 0.81 HDAC2 (0.48) HDAC2MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL16693061 0.77 HDAC2 (0.45) HDAC2MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL14809152 0.74 MAP4K4 (0.46) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL15939967 0.73 HDAC2 (0.61) HDAC2MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL15939968 0.73 HDAC2 (0.61) HDAC2MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL23535657 0.69 NPC1 (0.46) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL13569111 0.69 MAP4K4 (0.46) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL11660148 0.69 MAP4K4 (0.46) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL1269053 0.69 MAP4K4 (0.50) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL2849283 0.69 MAP4K4 (0.46) HDAC2MAP4K4ABL1MAPK8CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433855-B1 N- and O-substituted aminophenol derivatives, intermediates for their preparation, their use as hydrolase substrates, a corresponding assay and diagnostic agents ROCHE DIAGNOSTICS GMBH (DE) 2001-03-07 EP disclosed
EP-0433854-B1 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents BOEHRINGER MANNHEIM GMBH (DE) 1997-06-18 EP disclosed
US-5525480-A USED FOR DETERMINATION OF HYDROLASES; COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-06-11 US disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 US disclosed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 US disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 US disclosed
EP-0433854-A2 3-Aminopyrazolo heterocycles, their use for the determination of hydrogen peroxide, hydrogen peroxide forming systems, peroxidase, peroxidant active substances or electron rich aromatic compounds, corresponding determination process and agents Roche Diagnostics GmbH (DE) 1991-06-26 EP disclosed
EP-0433855-A2 N- and O-substituted aminophenol derivatives, intermediates for their preparation, their use as hydrolase substrates, a corresponding assay and diagnostic agents Roche Diagnostics GmbH (DE) 1991-06-26 EP disclosed