SCHEMBL6068549

SCHEMBL6068549

Cc1cc(-c2nnn3c2nc(OCc2cccnc2)c2ccccc23)no1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GABRA1 P14867 9/20 0.43
GABRG2 P18507 9/20 0.43
GABRB3 P28472 9/20 0.43
GABRA5 P31644 9/20 0.43
GABRA3 P34903 9/20 0.43
GABRA2 P47869 9/20 0.43
GABRA4 P48169 1/20 0.42
GABRA6 Q16445 1/20 0.42
CACNA2D1 P54289 1/20 0.39
TP53 P04637 4/20 0.37
RXFP1 Q9HBX9 4/20 0.37
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 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
SCHEMBL6068576 0.84 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6068681 0.83 GABRA1 (0.39) MEN1KMT2AKDM4EMAPTGABRA1
SCHEMBL6068326 0.81 GABRA1 (0.62) MEN1KMT2AKDM4EMAPTNPSR1
SCHEMBL6068643 0.81 KMT2A (0.37) MEN1KMT2AKDM4EMAPTGABRA1
SCHEMBL6068720 0.80 GABRG2 (0.49) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL6068711 0.80 GABRA1 (0.46) MEN1KMT2AKDM4EMAPTNPSR1
SCHEMBL6068712 0.80 GABRA1 (0.46) MEN1KMT2AKDM4EMAPTNPSR1
SCHEMBL7479320 0.76 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6068706 0.73 POLB (0.36) MEN1KMT2AKDM4EMAPTNPSR1
SCHEMBL6068331 0.71 RXFP1 (0.36) MEN1KMT2AKDM4EMAPTNPSR1

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 4 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
EP-1242423-A1 SUBSTITUTED 1,2,3-TRIAZOLO 1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LTD. (GB) 2002-09-25 EP disclosed
WO-2001044250-A1 SUBSTITUTED 1,2,3-TRIAZOLO[1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 WO disclosed