SCHEMBL5455808

SCHEMBL5455808

Cn1cc(NC(=O)c2nc(NC(=O)c3nccn3C)cn2C)nc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
GRM1 Q13255 4/20 0.38
GRM4 Q14833 6/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
NTRK1 P04629 1/20 0.36
RPS6KA2 Q15349 3/20 0.36
SMYD3 Q9H7B4 1/20 0.36
RPS6KA3 P51812 1/20 0.35
MAPT P10636 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
LDHA P00338 1/20 0.34
LDHB P07195 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
SCHEMBL14388704 1.00 NAMPT (0.48) NAMPTROCK2ROCK1GRM1GRM4
SCHEMBL5332204 0.99 NAMPT (0.49) NAMPTROCK2ROCK1GRM1GRM4
SCHEMBL12256159 0.89 NAMPT (0.48) NAMPTROCK2ROCK1GRM1GRM4
SCHEMBL14361885 0.89 NAMPT (0.40) NAMPTROCK2ROCK1GRM1GRM4
SCHEMBL13952739 0.87 NAMPT (0.49) NAMPTROCK2ROCK1GRM1GRM4
SCHEMBL30125632 0.87 NAMPT (0.46) NAMPTROCK2ROCK1GRM1GRM4
SCHEMBL5331486 0.87 NAMPT (0.46) NAMPTROCK2ROCK1GRM1GRM4
SCHEMBL5331221 0.86 NAMPT (0.46) NAMPTROCK2ROCK1GRM1GRM4
SCHEMBL6431430 0.86 NAMPT (0.48) NAMPTROCK2ROCK1GRM1GRM4
SCHEMBL6576406 0.85 NAMPT (0.46) NAMPTROCK2ROCK1GRM1GRM4

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-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed