SCHEMBL8569897

SCHEMBL8569897

CCc1nc2c(N3CCOCC3)nccc2c(Nc2ccccc2C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 3/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
PIK3CD O00329 1/20 0.40
AKT1 P31749 1/20 0.40
PIK3CB P42338 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39

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
SCHEMBL8407040 0.77 MAPT (0.64) LMNAMEN1KMT2AGAAPOLB
SCHEMBL27447787 0.69 AURKA (0.41) LMNAGAAPOLBMAPTSMN1; SMN2
SCHEMBL5929645 0.69 FABP3 (0.47) MEN1KMT2A
SCHEMBL8405322 0.67 MAPT (0.52) GAAMAPTSMN1; SMN2TP53MAPK1
SCHEMBL11239612 0.66 ATP4A (0.53)
SCHEMBL2911555 0.64 KCNH2 (0.53) GAAPOLBALDH1A1MAPTTP53
SCHEMBL5425953 0.63 LRRK2 (0.45) LMNAMEN1KMT2AGAATSHR
SCHEMBL5425955 0.63 LRRK2 (0.42) LMNATSHRALDH1A1TP53MAPK1
SCHEMBL3325263 0.62 LMNA (0.52) LMNAMEN1KMT2AGAAPOLB
SCHEMBL2219070 0.61 SMN1; SMN2 (0.65) LMNAMEN1KMT2AGAATSHR

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-0843677-A1 4-AMINO-3-ACYLNAPHTHYRIDINE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1998-05-27 EP disclosed
WO-1997003074-A1 4-AMINO-3-ACYLNAPHTHYRIDINE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1997-01-30 WO disclosed