SCHEMBL11118048

SCHEMBL11118048

O=C(O)Oc1cn(C2CC2)c2cc(N3CCC(O)CC3)ncc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 3/20 0.38
▸ MAPK8 P45983 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TOP2A P11388 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TOP2B Q02880 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ SMO Q99835 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL11275888 0.88 PIK3CG (0.41) PIK3CGMAPK8KDM4EALDH1A1LMNA
SCHEMBL9805938 0.86 KDM4E (0.50) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL7851039 0.80 PIK3CG (0.36) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL6668440 0.79 KDM4E (0.36) PIK3CGMAPK8KDM4EALDH1A1LMNA
SCHEMBL7851048 0.77 PIK3CG (0.33) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL7850855 0.77 PIK3CG (0.32) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL10376893 0.76 KDM4E (0.55) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL10378390 0.76 KDM4E (0.55) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL10377584 0.76 KDM4E (0.55) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL7851241 0.75 PIK3CG (0.33) PIK3CGKDM4EALDH1A1LMNAHPGD

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-0049355-B1 7-Amino-1-cyclopropyl-4-oxo-1,4-dihydro-(naphthyridine or quinoline)-3-carboxylic acids, process for their preparation and pharmaceutical compositions containing them BAYER AG (DE) 1984-10-10 — — EP disclosed
EP-0049355-A1 7-Amino-1-cyclopropyl-4-oxo-1,4-dihydro-(naphthyridine or quinoline)-3-carboxylic acids, process for their preparation and pharmaceutical compositions containing them BAYER AG (DE) 1982-04-14 — — EP disclosed
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