SCHEMBL9254878

SCHEMBL9254878

N=C(N)c1ccc(-c2ccc(-n3cnc(CC(O)C(=O)O)c3)nn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.36
CPB1 P15086 5/20 0.36
PDK1 Q15118 2/20 0.35
PTPRA P18433 1/20 0.33
MAP4K4 O95819 1/20 0.33
F10 P00742 3/20 0.32
CPN1 P15169 1/20 0.32
F9 P00740 1/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL9568520 0.90 PDK1 (0.36) CPB2CPB1PDK1MAP4K4F10
Hydrochloric Acid SCHEMBL9256051 0.89 PDK1 (0.36) CPB2CPB1PDK1MAP4K4F10
SCHEMBL9258718 0.89 CPB1 (0.39) CPB2CPB1PDK1F10F9
SCHEMBL8863320 0.88 F10 (0.36) CPB2CPB1PDK1F10F2
Hydrochloric Acid SCHEMBL9253007 0.88 F10 (0.36) CPB2CPB1PDK1F10F2
SCHEMBL9248830 0.87 CPB2 (0.42) CPB2CPB1PDK1F10F9
SCHEMBL9251486 0.86 ITGB3 (0.36) CPB2CPB1PDK1MAP4K4F10
SCHEMBL9254452 0.84 CPB1 (0.37) CPB2CPB1PDK1F10F9
SCHEMBL9568440 0.83 ITGB3 (0.39) PDK1MAP4K4F10F2PRSS1
SCHEMBL9254389 0.83 F10 (0.40) CPB2CPB1F10F2PRSS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP claimed
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed