SCHEMBL19783937

SCHEMBL19783937

CC(C)(CC(F)(F)F)NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCC(O)C3)ccc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
ABL1 P00519 10/20 0.36
MAPK8 P45983 2/20 0.35
JAK2 O60674 2/20 0.35
NTRK1 P04629 2/20 0.35
KIF18A Q8NI77 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IRAK4 Q9NWZ3 2/20 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
SCHEMBL19783935 0.91 ALDH1A1 (0.36) KMT2AJAK2NTRK1KDM4EALDH1A1
SCHEMBL19783588 0.89 KMT2A (0.37) KMT2AABL1MAPK8KDM4EALDH1A1
SCHEMBL21220057 0.87 NTRK1 (0.33) KMT2AJAK2NTRK1KDM4EALDH1A1
SCHEMBL19784078 0.87 NTRK1 (0.33) KMT2AJAK2NTRK1KDM4EALDH1A1
SCHEMBL22591789 0.86 MAPK8 (0.35) KMT2AMAPK8KDM4EALDH1A1POLB
SCHEMBL19783954 0.85 TDO2 (0.34) KMT2AJAK2NTRK1KDM4EALDH1A1
SCHEMBL19783550 0.85 KMT2A (0.39) KMT2AABL1MAPK8
SCHEMBL22591000 0.85 KMT2A (0.37) KMT2AABL1MAPK8KDM4EALDH1A1
SCHEMBL22590974 0.84 KMT2A (0.37) KMT2AABL1MAPK8IRAK4
SCHEMBL22590978 0.84 NAPEPLD (0.40) KMT2AMAPK8JAK2NTRK1

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-3481823-B1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma AG (DE) 2020-10-28 EP disclosed
WO-2018011017-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-18 WO disclosed