SCHEMBL807801

SCHEMBL807801

Bc1ccc2nc(Nc3cc(Cn4ccnc4C)cc(Cl)n3)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 7/20 0.42
MAPT P10636 6/20 0.42
RXFP1 Q9HBX9 1/20 0.40
LCK P06239 7/20 0.37
TNIK Q9UKE5 1/20 0.36
POLB P06746 3/20 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
SCHEMBL2370319 0.89 LMNA (0.42) LMNAL3MBTL1TP53MAPTRXFP1
SCHEMBL2370127 0.81 NPC1 (0.44) LMNAL3MBTL1TP53MAPTRXFP1
SCHEMBL2370368 0.71 ITK (0.47) LMNATP53MAPTRXFP1LCK
SCHEMBL2370365 0.71 ITK (0.47) LMNATP53MAPTRXFP1LCK
SCHEMBL798853 0.71 LMNA (0.62) LMNAL3MBTL1POLB
SCHEMBL2371227 0.71 APP (0.37) LMNATP53MAPTRXFP1LCK
SCHEMBL2371233 0.70 HTT (0.45) MAPTRXFP1LCK
SCHEMBL2369950 0.69 RAB9A (0.41) LMNATP53MAPTRXFP1LCK
SCHEMBL2370208 0.69 ALDH1A1 (0.44) MAPTRXFP1LCK
SCHEMBL807916 0.69 DPP4 (0.37) TP53MAPTRXFP1

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
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed