SCHEMBL6941259

SCHEMBL6941259

CCCCCCOc1ccc2c(ccn2CCC[C@@H](O[Si](C)(C)C(C)(C)C)n2cnc(C(N)=O)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADA P00813 14/20 0.71
MCL1 Q07820 3/20 0.40
BCL2 P10415 2/20 0.40
PLA2G4A P47712 2/20 0.40

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
SCHEMBL6936324 0.94 ADA (0.71) ADAMCL1
SCHEMBL6938456 0.92 ADA (0.70) ADAMCL1
SCHEMBL6938571 0.89 ADA (0.71) ADAMCL1BCL2
SCHEMBL6936415 0.87 ADA (0.60) ADAMCL1BCL2
SCHEMBL6936327 0.86 ADA (0.51) ADA
SCHEMBL6941256 0.86 ADA (0.80) ADA
SCHEMBL6935293 0.86 ADA (0.77) ADAMCL1BCL2PLA2G4A
SCHEMBL6933487 0.84 ADA (0.49) ADA
SCHEMBL6942815 0.84 ADA (0.71) ADAMCL1
SCHEMBL6935289 0.83 ADA (1.00) 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