SCHEMBL19004892

SCHEMBL19004892

Nc1ccc(-c2ncncc2O)cc1N(O)I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
PIK3CG P48736 3/20 0.33
EGFR P00533 2/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL24027040 0.80 LMNA (0.36) KMT2APIK3CGEGFRPIK3CDABL1
SCHEMBL19004891 0.77 KMT2A (0.38) KMT2APIK3CGEGFRPIK3CDABL1
SCHEMBL18986106 0.71 MAPT (0.55) KMT2ACYP3A4ALOX15HSD17B10NPSR1
SCHEMBL23605461 0.65 KMT2A (0.37) KMT2APIK3CGEGFRPIK3CDABL1
Hydrochloric Acid SCHEMBL23579556 0.64 KMT2A (0.36) KMT2APIK3CGEGFRPIK3CDABL1
SCHEMBL19005212 0.59 KIT (0.41) KMT2APIK3CGEGFRPIK3CDABL1
SCHEMBL28797149 0.59 ALOX15 (0.59) KMT2APIK3CGEGFRPIK3CDABL1
SCHEMBL17651915 0.58 EGFR (0.50) PIK3CGEGFRPIK3CDABL1HCK
SCHEMBL1650843 0.58 KMT2A (0.33) KMT2ANPSR1NCOA1NCOA3
SCHEMBL17689693 0.58 KDM4E (0.62) PIK3CGEGFRPIK3CDABL1HCK

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-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed