SCHEMBL6068481

SCHEMBL6068481

Cc1cc(-c2nnn3c2nc(N2CCNC(=O)C2)c2ccccc23)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 6/20 0.44
RXFP1 Q9HBX9 3/20 0.42
PKM P14618 1/20 0.41
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL6068793 0.85 POLB (0.46) POLBTP53MAPTRXFP1PKM
SCHEMBL6068610 0.83 POLB (0.44) POLBTP53MAPTRXFP1PKM
SCHEMBL6068301 0.83 POLB (0.43) POLBTP53MAPTRXFP1PKM
SCHEMBL6068256 0.81 POLB (0.44) POLBTP53MAPTRXFP1PKM
SCHEMBL6068443 0.81 POLB (0.41) POLBTP53MAPTRXFP1PKM
SCHEMBL6068459 0.81 POLB (0.44) POLBTP53MAPTRXFP1PKM
SCHEMBL6068469 0.80 POLB (0.45) POLBTP53MAPTRXFP1PKM
SCHEMBL7241576 0.79 MAPT (0.47) POLBTP53MAPTRXFP1PKM
SCHEMBL7242245 0.71 MAPT (0.46) POLBTP53MAPTRXFP1PKM
SCHEMBL6068581 0.71 PARP1 (0.45) ALDH1A1HPGDKDM4E

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