SCHEMBL11275888

SCHEMBL11275888

CN1CCN(c2cc3c(cn2)c(=O)c(OC(=O)O)cn3C2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CSF1R P07333 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TOP2B Q02880 1/20 0.36
▸ MAPK8 P45983 2/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ BRD4 O60885 3/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL11118048 0.88 PIK3CG (0.38) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL5680002 0.86 KDM4E (0.53) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL6668440 0.82 KDM4E (0.36) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL2851459 0.80 ALDH1A1 (0.62) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL10919977 0.80 ALDH1A1 (0.47) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL7851039 0.79 PIK3CG (0.36) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL7851048 0.78 PIK3CG (0.33) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL5681364 0.78 KDM4E (0.39) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL5681111 0.78 ALDH1A1 (0.41) PIK3CGKDM4EALDH1A1LMNAHPGD
SCHEMBL7850855 0.76 PIK3CG (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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