SCHEMBL6068548

SCHEMBL6068548

Cc1cc(-c2nnn3c2nc(N(C)Cc2ncnn2C)c2ccccc23)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
GABRA1 P14867 6/20 0.37
GABRG2 P18507 6/20 0.37
GABRB3 P28472 6/20 0.37
GABRA5 P31644 6/20 0.37
GABRA3 P34903 6/20 0.37
GABRA2 P47869 6/20 0.37
GABRA4 P48169 2/20 0.37
KDM4E B2RXH2 3/20 0.34
RXFP1 Q9HBX9 4/20 0.33
POLB P06746 4/20 0.33
TP53 P04637 5/20 0.33
GABRA6 Q16445 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 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
SCHEMBL6068571 0.83 MAPT (0.41) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL6068450 0.82 GABRA1 (0.46) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL6068720 0.82 GABRG2 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6068562 0.82 RXFP1 (0.49) MAPTKDM4ERXFP1POLBTP53
SCHEMBL6068240 0.77 MAPT (0.40) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL6068766 0.76 GABRA1 (0.40) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL6068805 0.75 MAPT (0.41) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL6068824 0.72 MAPT (0.38) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL6068567 0.72 MAPT (0.36) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL6068441 0.71 MAPT (0.37) MAPTGABRA1GABRG2GABRB3GABRA5

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