SCHEMBL14879050

SCHEMBL14879050

Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cn(C)c(-c2nc3ccc(C(=O)O)cc3[nH]2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.43
CHEK2 O96017 6/20 0.39
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NR4A2 P43354 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37
DGAT1 O75907 3/20 0.36
CYP3A4 P08684 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL5561008 0.93 LCK (0.36) LCKCHEK2ESR2MAPTMAPK1
SCHEMBL15233047 0.93 LCK (0.43) LCKMAPTMAPK1DGAT1CYP3A4
SCHEMBL14879051 0.90 LCK (0.48) LCKCHEK2HSP90AA1ESR2TDP1
SCHEMBL6509939 0.86 LEF1 (0.37) LCKESR2MAPT
SCHEMBL14879048 0.84 LCK (0.46) LCKCHEK2HSP90AA1ESR2TDP1
SCHEMBL5561415 0.82 LCK (0.39) LCKCHEK2HSP90AA1ESR2TDP1
SCHEMBL15233333 0.82 BRD4 (0.48) LCKCHEK2MAPTDGAT1HDAC6
SCHEMBL5560010 0.77 MAPT (0.39) LCKCHEK2MAPTMAPK1NR4A2
SCHEMBL15233045 0.76 KDM4E (0.47) LCKCHEK2MAPTMAPK1HDAC6
SCHEMBL3415039 0.76 HDAC1 (0.39) ESR2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524899-B2 Oligopeptide containing fused 6-membered ring forming complexes with double stranded dna; complexes can be used for identification of specific dsDNA sequences, inhibiting gene transcription, therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific gene CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-09-03 US disclosed
US-8524899-B2 Oligopeptide containing fused 6-membered ring forming complexes with double stranded dna; complexes can be used for identification of specific dsDNA sequences, inhibiting gene transcription, therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific gene CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-09-03 US disclosed
EP-1599474-B1 Heterocyclic oligomeric compounds for DNA recognition CALIFORNIA INST OF TECHN (US) 2013-04-24 EP disclosed