SCHEMBL19987089

SCHEMBL19987089

CC(NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CCC(O)C3)c(Br)cc2c1=O)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE2A O00408 1/20 0.35
EPHA2 P29317 1/20 0.34
FLT4 P35916 1/20 0.34
GSK3B P49841 1/20 0.34
RARB P10826 1/20 0.34
TBXAS1 P24557 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC22A2 O15244 1/20 0.34

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
SCHEMBL19987088 1.00 KMT2A (0.40) KMT2ALMNAKDM4EALDH1A1POLB
SCHEMBL19971411 0.93 KMT2A (0.46) KMT2ALMNAKDM4EALDH1A1POLB
SCHEMBL19987000 0.93 KMT2A (0.46) KMT2ALMNAKDM4EALDH1A1POLB
SCHEMBL19987009 0.91 LMNA (0.38) KMT2ALMNAKDM4EALDH1A1POLB
SCHEMBL19987013 0.91 KMT2A (0.39) KMT2ALMNAKDM4EALDH1A1POLB
SCHEMBL19987141 0.87 KMT2A (0.46) KMT2ALMNAKDM4EALDH1A1POLB
SCHEMBL29457322 0.87 KMT2A (0.36) KMT2APDE2ASLC22A2IRAK4NTRK1
SCHEMBL29980030 0.87 KMT2A (0.46) KMT2ALMNAKDM4EALDH1A1POLB
SCHEMBL19986990 0.87 KMT2A (0.36) KMT2APDE2ASLC22A2IRAK4NTRK1
SCHEMBL19986992 0.87 KMT2A (0.36) KMT2APDE2ASLC22A2IRAK4NTRK1

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-2018050510-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-03-22 WO disclosed