SCHEMBL6068824

SCHEMBL6068824

Cc1cc(-c2nnn3c2nc(N(C)c2n[nH]c(=O)[nH]2)c2ccccc23)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.35
RXFP1 Q9HBX9 7/20 0.34
POLB P06746 5/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.32
TP53 P04637 8/20 0.32
ALDH1A1 P00352 1/20 0.32
XBP1 P17861 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL6068805 0.81 MAPT (0.41) MAPTKDM4ERXFP1POLBGABRA1
SCHEMBL6068240 0.80 MAPT (0.40) MAPTKDM4ERXFP1POLBGABRA1
SCHEMBL6068830 0.79 RXFP1 (0.50) MAPTKDM4ERXFP1POLBKMT2A
SCHEMBL6068766 0.79 GABRA1 (0.40) MAPTKDM4ERXFP1POLBGABRA1
SCHEMBL6068567 0.75 MAPT (0.36) MAPTKDM4ERXFP1POLBGABRA1
SCHEMBL6068441 0.74 MAPT (0.37) MAPTKDM4ERXFP1POLBGABRA1
SCHEMBL6068450 0.73 GABRA1 (0.46) MAPTKDM4ERXFP1POLBGABRA1
SCHEMBL6068581 0.72 PARP1 (0.45) KDM4EALDH1A1RAB9A
SCHEMBL6068548 0.72 MAPT (0.39) MAPTKDM4ERXFP1POLBGABRA1
SCHEMBL6068571 0.72 MAPT (0.41) MAPTKDM4ERXFP1POLBGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 US claimed