SCHEMBL7748839

SCHEMBL7748839

c1ccc(Nc2cnc[nH]2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK10 P53779 1/20 0.50
GFER P55789 1/20 0.50
KDR P35968 6/20 0.46
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
CDC25B P30305 1/20 0.44
CASP6 P55212 1/20 0.44
RCE1 Q9Y256 1/20 0.44
HRH4 Q9H3N8 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL2012149 0.74 MEN1 (0.53) MEN1KMT2AMAPK10GFERKDR
SCHEMBL29391624 0.73 KMT2A (0.76) MEN1KMT2AMAPK10GFERKDR
SCHEMBL221242 0.73 KMT2A (0.76) MEN1KMT2AMAPK10GFERKDR
SCHEMBL30947359 0.71 KMT2A (0.73) MEN1KMT2AMAPK10GFERKDR
SCHEMBL6175584 0.71 KMT2A (0.73) MEN1KMT2AMAPK10GFERKDR
SCHEMBL6574416 0.71 KMT2A (0.73) MEN1KMT2AMAPK10GFERKDR
SCHEMBL11133606 0.71 KMT2A (0.73) MEN1KMT2AMAPK10GFERKDR
Bromide SCHEMBL28368455 0.71 KMT2A (0.73) MEN1KMT2AMAPK10GFERKDR
SCHEMBL4243882 0.71 KMT2A (0.73) MEN1KMT2AMAPK10GFERKDR
SCHEMBL6175579 0.71 KMT2A (0.73) MEN1KMT2AMAPK10GFERKDR

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-2001022965-A1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2001-04-05 WO disclosed