SCHEMBL6933245

SCHEMBL6933245

Cc1cn(CCC[C@@H](O[Si](C)(C)C(C)(C)C)n2cnc(C(N)=O)c2)c2cc(N)ccc12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADA P00813 17/20 0.38
TNF P01375 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL6933243 0.86 ADA (0.53) ADA
SCHEMBL6933244 0.83 ADA (0.43) ADA
SCHEMBL6941950 0.82 ADA (0.53) ADAPDE4APDE4BPDE4CPDE4D
SCHEMBL6939865 0.81 MEN1 (0.38)
SCHEMBL6942598 0.80 LMNA (0.39)
SCHEMBL6942036 0.79 ADA (0.59) ADA
SCHEMBL6933487 0.78 ADA (0.49) ADA
SCHEMBL6942307 0.77 ADA (0.53) ADA
SCHEMBL6936327 0.77 ADA (0.51) ADA
SCHEMBL6940904 0.76 ADA (0.42) ADA

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
US-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed
EP-1161429-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP disclosed
WO-2000055155-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-21 WO disclosed