SCHEMBL19784027

SCHEMBL19784027

CCOC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCC(O)C3)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TSHR P16473 2/20 0.40
CSF1R P07333 1/20 0.38
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 1/20 0.36
EPHA2 P29317 1/20 0.36
FLT4 P35916 1/20 0.36
GSK3B P49841 1/20 0.36
RARB P10826 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL19784029 0.90 MAPT (0.41) KMT2AMAPTTHRBALDH1A1TSHR
SCHEMBL18313296 0.88 KMT2A (0.51) KMT2AMAPTTHRBALDH1A1TSHR
SCHEMBL22590978 0.84 NAPEPLD (0.40) KMT2A
SCHEMBL19784039 0.83 MAPT (0.38) KMT2AMAPTTHRBALDH1A1TSHR
SCHEMBL19784040 0.83 MAPT (0.38) KMT2AMAPTTHRBALDH1A1TSHR
SCHEMBL22591000 0.83 KMT2A (0.37) KMT2AALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL19784211 0.83 CNR1 (0.44) KMT2AALDH1A1
SCHEMBL22590974 0.82 KMT2A (0.37) KMT2A
SCHEMBL19783937 0.82 KMT2A (0.37) KMT2AALDH1A1LMNAKDM4EHPGD
SCHEMBL19784088 0.82 KMT2A (0.36) KMT2AALDH1A1TSHRSMN1; SMN2MEN1

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