SCHEMBL19784040

SCHEMBL19784040

CCOC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CC(C)NC3=O)ccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CMA1 P23946 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 3/20 0.36
CSF1R P07333 1/20 0.35
STAT3 P40763 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.35
ATM Q13315 1/20 0.35
EPHA2 P29317 1/20 0.35
FLT4 P35916 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL19784039 1.00 MAPT (0.38) MAPTTHRBCMA1ALDH1A1TSHR
SCHEMBL18313012 0.89 KDM4E (0.41) MAPTTHRBCMA1ALDH1A1TSHR
SCHEMBL22331617 0.89 KDM4E (0.41) MAPTTHRBCMA1ALDH1A1TSHR
SCHEMBL19783916 0.88 EPHA2 (0.45) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL19783918 0.88 EPHA2 (0.45) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL19784029 0.86 MAPT (0.41) MAPTTHRBALDH1A1TSHRKDM4E
SCHEMBL19784027 0.83 KMT2A (0.42) MAPTTHRBALDH1A1TSHRKDM4E
SCHEMBL22590987 0.83 GSK3B (0.34) ALDH1A1TSHRKDM4EHPGDKMT2A
SCHEMBL21238078 0.83 GSK3B (0.34) ALDH1A1TSHRKDM4EHPGDKMT2A
SCHEMBL19783952 0.83 GSK3B (0.34) ALDH1A1TSHRKDM4EHPGDKMT2A

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