SCHEMBL6068459

SCHEMBL6068459

Cc1cc(-c2nnn3c2nc(N2CCc4cnccc4C2)c2ccccc23)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MAPT P10636 6/20 0.42
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 3/20 0.39
PKM P14618 1/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
GBA1 P04062 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6068481 0.81 POLB (0.46) POLBMAPTTP53RXFP1PKM
SCHEMBL6068443 0.80 POLB (0.41) POLBMAPTTP53RXFP1PKM
SCHEMBL6068256 0.79 POLB (0.44) POLBMAPTTP53RXFP1PKM
SCHEMBL6068469 0.78 POLB (0.45) POLBMAPTTP53RXFP1PKM
SCHEMBL6068610 0.77 POLB (0.44) POLBMAPTTP53RXFP1PKM
SCHEMBL6068301 0.77 POLB (0.43) POLBMAPTTP53RXFP1PKM
SCHEMBL6068549 0.70 MEN1 (0.45) POLBMAPTTP53RXFP1KMT2A
SCHEMBL6068643 0.68 KMT2A (0.37) MAPTRXFP1PKMKMT2AMEN1
SCHEMBL6068240 0.67 MAPT (0.40) POLBMAPTTP53RXFP1PKM
SCHEMBL6068576 0.66 GABRA1 (0.59) PKMALDH1A1LMNA

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