SCHEMBL6068469

SCHEMBL6068469

Cc1cc(-c2nnn3c2nc(N2CCn4cnnc4C2)c2ccccc23)no1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TP53 P04637 4/20 0.45
MAPT P10636 6/20 0.43
RXFP1 Q9HBX9 4/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6068256 0.87 POLB (0.44) POLBTP53MAPTRXFP1CRHBP
SCHEMBL6068793 0.82 POLB (0.46) POLBTP53MAPTRXFP1CRHBP
SCHEMBL6068481 0.80 POLB (0.46) POLBTP53MAPTRXFP1CRHBP
SCHEMBL6068610 0.80 POLB (0.44) POLBTP53MAPTRXFP1CRHBP
SCHEMBL6068301 0.78 POLB (0.43) POLBTP53MAPTRXFP1CRHBP
SCHEMBL6068459 0.78 POLB (0.44) POLBTP53MAPTRXFP1CRHBP
SCHEMBL6068443 0.76 POLB (0.41) POLBTP53MAPTRXFP1CRHBP
SCHEMBL6068521 0.67 KDM4E (0.41) POLBTP53MAPTRXFP1CRHBP
SCHEMBL6068805 0.67 MAPT (0.41) POLBTP53MAPTRXFP1KMT2A
SCHEMBL6068520 0.67 HPGD (0.51) POLBTP53MAPTRXFP1CRHBP

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