SCHEMBL9253138

SCHEMBL9253138

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.32
PDK1 Q15118 1/20 0.32
MAP4K4 O95819 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL9252037 0.88 PRSS1 (0.32) F10PDK1PRSS1
SCHEMBL9568440 0.84 ITGB3 (0.39) F10PDK1MAP4K4F2PRSS1
SCHEMBL9250512 0.83 POLB (0.36) F10PDK1MAP4K4F2PRSS1
SCHEMBL9253978 0.82 ITGB3 (0.37) F10PDK1MAP4K4F2PRSS1
SCHEMBL8863938 0.81 TMPRSS15 (0.36) F10PDK1MAP4K4F2PRSS1
SCHEMBL9251525 0.79 MIF (0.37) PDK1
SCHEMBL9254094 0.79 F2 (0.37) F10PDK1F2PRSS1
SCHEMBL9258605 0.79 PDK1 (0.31) PDK1
SCHEMBL9568520 0.78 PDK1 (0.36) F10PDK1MAP4K4F2PRSS1
SCHEMBL9254878 0.78 CPB2 (0.36) F10PDK1MAP4K4F2PRSS1

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
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