SCHEMBL4773662

SCHEMBL4773662

Nc1c(O)ccn2nccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.36
DYRK1A Q13627 1/20 0.34
IDO1 P14902 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PSMB5 P28074 1/20 0.32
G6PD P11413 2/20 0.31
POLB P06746 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17847672 0.79 MAP4K4 (0.38) MAP4K4DYRK1AHSP90AA1HSP90AB1POLB
SCHEMBL6745049 0.76 MAP4K4 (0.36) MAP4K4DYRK1AIDO1HSP90AA1HSP90AB1
SCHEMBL2959947 0.72 MAP4K4 (0.39) MAP4K4IDO1G6PDPOLBKDM4E
SCHEMBL2849280 0.68 MAP4K4 (0.53) MAP4K4DYRK1APOLBCASP7KDM4E
SCHEMBL30489874 0.68 MAP4K4 (0.53) MAP4K4DYRK1APOLB
SCHEMBL9103578 0.68 MAP4K4 (0.44) MAP4K4DYRK1AG6PDKDM4EMEN1
SCHEMBL25421804 0.68 MAP4K4 (0.36) MAP4K4DYRK1APOLB
SCHEMBL31291221 0.68 MAP4K4 (0.36) MAP4K4DYRK1APOLBALDH1A1MAPT
SCHEMBL31291220 0.68 MAP4K4 (0.36) MAP4K4DYRK1APOLBALDH1A1MAPT
SCHEMBL18839991 0.68 MAP4K4 (0.36) MAP4K4DYRK1AIDO1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372582-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO- 1,5-A] PYRIDINE AND 2-AMINO-3-HYDROXY PYRIDINE L'OREAL (FR) 2004-01-02 EP claimed
WO-2002076416-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO-[1,5-A] PYRIDINE AND 2-AMINO-3-HYDROXY PYRIDINE L'OREAL (FR) 2002-10-03 WO claimed
EP-1879547-A1 DYEING COMPOSITION COMPRISING A DYE AND A PROPYLENE GLYCOL DERIVATIVE L'Oréal (FR) 2008-01-23 EP disclosed
WO-2006114529-A1 DYEING COMPOSITION COMPRISING A DYE AND A PROPYLENE GLYCOL DERIVATIVE L'OREAL (FR) 2006-11-02 WO disclosed
US-20040122782-A1 Process for determining the composition of a dye product L'OREAL (FR) 2004-06-24 US disclosed