SCHEMBL5316367

SCHEMBL5316367

[O-][n+]1nc(NBr)nc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
MMP14 P50281 2/20 0.33
BLM P54132 2/20 0.33
CASP6 P55212 2/20 0.33
KMT2A Q03164 2/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
PABPC1 P11940 1/20 0.33
ATM Q13315 1/20 0.31
IDO1 P14902 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL11347630 0.82 MAPT (0.41) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL5107697 0.82 MEN1 (0.35) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL6680537 0.79 NPY5R (0.47) MEN1POLBKMT2ANPC1ATM
SCHEMBL6365368 0.77 POLB (0.49) MEN1POLBMMP14BLMCASP6
SCHEMBL6365200 0.76 NPC1 (0.35) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL6679140 0.76 IDO1 (0.38) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL6676039 0.74 RAD52 (0.48) MEN1POLBMMP14BLMCASP6
SCHEMBL6679187 0.74 IDO1 (0.37) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL5107999 0.73 KMT2A (0.49) MEN1KMT2ANPC1MAPT
SCHEMBL6673522 0.73 ALDH1A1 (0.36) MEN1POLBMMP14BLMCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846392-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS Sentinel Oncology Limited (GB) 2007-10-24 EP disclosed
WO-2006131835-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2006-12-14 WO disclosed