SCHEMBL22246384

SCHEMBL22246384

Bc1nc(N)c(N)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
NR4A1 P22736 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PTPN11 Q06124 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NQO1 P15559 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 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
SCHEMBL17299128 0.77 KMT2A (0.36) KMT2AHTTPOLBL3MBTL1MAPT
SCHEMBL24550677 0.73 HTT (0.38) KMT2AHTTPOLBL3MBTL1MAPT
SCHEMBL1565399 0.73 LMNA (0.44) KMT2AHTTPOLBL3MBTL1MAPT
SCHEMBL1564745 0.73 TDP1 (0.34) KMT2AHTTPOLBL3MBTL1MAPT
SCHEMBL22246385 0.72 PRKDC (0.37) CYP3A4
SCHEMBL22246390 0.72 KDM4E (0.46) KMT2AHTTMAPTMEN1ALDH1A1
SCHEMBL22246397 0.69 SMN1; SMN2 (0.39) ALDH1A1GAA
SCHEMBL14546835 0.69 ALDH1A1 (0.46) KMT2APOLBL3MBTL1MAPTMEN1
SCHEMBL23832162 0.69 POLB (0.47) KMT2AHTTPOLBL3MBTL1MAPT
SCHEMBL24551214 0.69 HEXA (0.36) KMT2APOLBL3MBTL1MEN1ALDH1A1

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-2020150676-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-07-23 WO disclosed