SCHEMBL13606352

SCHEMBL13606352

C[C@@H](Nc1c(-c2ccc(F)cc2Cl)c(Cl)nc2c(-c3nsc(=O)o3)cnn12)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.31
PSMB8 P28062 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
SCHEMBL13606353 0.83 ADRA1A (0.32) SCN10A
SCHEMBL4507666 0.80 GSK3B (0.36) SCN10A
SCHEMBL4489875 0.80 ADAM17 (0.32) SCN10A
SCHEMBL4692686 0.80 SCN10A (0.31) SCN10A
SCHEMBL13606359 0.79
SCHEMBL13606351 0.78 JAK2 (0.43) SCN10A
SCHEMBL4499049 0.78 SCN10A (0.33) SCN10A
SCHEMBL13606355 0.78
SCHEMBL4690562 0.78 CDK2 (0.42)
SCHEMBL13606354 0.77 ALDH1A1 (0.37) SCN10A

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-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed