SCHEMBL28675222

SCHEMBL28675222

O=c1nc(-c2ccccc2)nc(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.55
TNKS O95271 3/20 0.55
TNKS2 Q9H2K2 3/20 0.55
GUSB P08236 1/20 0.55
CDC7 O00311 1/20 0.54
MEN1 O00255 1/20 0.53
NTSR1 P30989 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 5/20 0.48
TP53 P04637 3/20 0.48
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
MAPK14 Q16539 2/20 0.48
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
GCGR P47871 1/20 0.48
RNASEH1 O60930 1/20 0.45
ERCC1 P07992 1/20 0.45
FEN1 P39748 1/20 0.45

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
SCHEMBL28677334 0.90 MAPT (0.53) PARP1TNKSTNKS2MEN1KMT2A
SCHEMBL28694192 0.85 NR1H2 (0.61) PARP1TNKSTNKS2MEN1KMT2A
SCHEMBL28672620 0.84 TNKS (0.55) PARP1TNKSTNKS2MEN1KMT2A
SCHEMBL28682476 0.84 NR1H2 (0.59) TNKSTNKS2GUSBMEN1KMT2A
SCHEMBL28675746 0.84 NR1H2 (0.59) PARP1TNKSTNKS2MAPTTP53
SCHEMBL28685099 0.82 GSK3B (0.56) CDC7MAPTMAPK13MAPK12MAPK11
SCHEMBL28671719 0.81 NPC1 (0.59) PARP1TNKSTNKS2GUSBMEN1
SCHEMBL28676032 0.80 TNKS (0.58) PARP1TNKSTNKS2MAPK13MAPK12
SCHEMBL28671250 0.79 TNKS (0.59) PARP1TNKSTNKS2GUSBMEN1
SCHEMBL13665827 0.76 MEN1 (0.76) MEN1NTSR1KMT2AMAPTTP53

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
CN-113173889-B Method for synthesizing 1,3, 5-triazine derivative 新乡市润宇新材料科技有限公司 2023-11-10 CN disclosed
CN-113173889-A Method for synthesizing 1,3, 5-triazine derivative 新乡市润宇新材料科技有限公司 2021-07-27 CN disclosed