SCHEMBL6068720

SCHEMBL6068720

Cc1cc(-c2nnn3c2nc(OCc2ncnn2C)c2ccccc23)no1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 19/20 0.49
GABRB3 P28472 19/20 0.49
GABRA3 P34903 19/20 0.49
GABRA1 P14867 11/20 0.49
GABRA2 P47869 10/20 0.49
GABRA5 P31644 7/20 0.49
GABRA4 P48169 2/20 0.49
GABRA6 Q16445 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL6068562 0.85 RXFP1 (0.49) MEN1KMT2ARXFP1
SCHEMBL6068326 0.83 GABRA1 (0.62) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6068576 0.83 GABRA1 (0.59) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6068548 0.82 MAPT (0.39) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6068711 0.82 GABRA1 (0.46) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6068712 0.82 GABRA1 (0.46) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6068549 0.80 MEN1 (0.45) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6068681 0.78 GABRA1 (0.39) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7421406 0.76 GABRA1 (0.70) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6068706 0.73 POLB (0.36) GABRG2GABRB3GABRA3GABRA1GABRA2

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