SCHEMBL19783918

SCHEMBL19783918

CC1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4ncc(F)cc4F)c3n2)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.45
FLT4 P35916 1/20 0.45
GSK3B P49841 1/20 0.45
RARB P10826 1/20 0.45
TBXAS1 P24557 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL19783916 1.00 EPHA2 (0.45) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL19784039 0.88 MAPT (0.38) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL19784040 0.88 MAPT (0.38) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL22591750 0.87 EPHA2 (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL18312809 0.87 EPHA2 (0.43) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL19783953 0.86 KDM4E (0.34) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL22591003 0.86 KDM4E (0.34) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL19784033 0.85 KMT2A (0.44) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL19783909 0.84 EPHA2 (0.45) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL19783913 0.84 EPHA2 (0.45) EPHA2FLT4GSK3BRARBTBXAS1

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