SCHEMBL6068830

SCHEMBL6068830

Cc1cc(-c2nnn3c2nc(NCc2n[nH]c(=O)[nH]2)c2ccccc23)no1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 12/20 0.50
POLB P06746 5/20 0.50
TP53 P04637 11/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6068244 0.80 RXFP1 (0.51) RXFP1POLBTP53MAPTKDM4E
SCHEMBL6068619 0.80 RXFP1 (0.51) RXFP1POLBTP53MAPTKDM4E
SCHEMBL6068524 0.80 RXFP1 (0.51) RXFP1POLBTP53MAPTKDM4E
SCHEMBL6068798 0.80 RXFP1 (0.51) RXFP1POLBTP53MAPTKDM4E
SCHEMBL6068773 0.80 RXFP1 (0.50) RXFP1POLBTP53MAPTKDM4E
SCHEMBL6068824 0.79 MAPT (0.38) RXFP1POLBTP53MAPTKDM4E
SCHEMBL6068552 0.78 RXFP1 (0.49) RXFP1POLBTP53MAPTKDM4E
SCHEMBL6068562 0.78 RXFP1 (0.49) RXFP1POLBTP53MAPTKDM4E
SCHEMBL6068550 0.72 RXFP1 (0.47) RXFP1POLBTP53MAPTKDM4E
SCHEMBL6068581 0.71 PARP1 (0.45) KDM4EALDH1A1

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