SCHEMBL6068550

SCHEMBL6068550

Cc1cc(-c2nnn3c2nc(NC(C)c2nc[nH]n2)c2ccccc23)no1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 12/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 11/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 5/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6068706 0.83 POLB (0.36) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL6068567 0.82 MAPT (0.36) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL6068244 0.73 RXFP1 (0.51) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL6068830 0.72 RXFP1 (0.50) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL6068798 0.71 RXFP1 (0.51) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL6068524 0.71 RXFP1 (0.51) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL6068619 0.71 RXFP1 (0.51) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL6068552 0.71 RXFP1 (0.49) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL6068562 0.71 RXFP1 (0.49) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL6068773 0.71 RXFP1 (0.50) RXFP1MEN1KMT2ATP53MAPT

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