SCHEMBL7846771

SCHEMBL7846771

CC(C)(C)[Si](C)(C)OC[C@@H](CCn1ccc2ccc(OCCCCc3ccccc3)cc21)NC(=O)c1c[nH]cn1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADA P00813 8/20 0.51
MCL1 Q07820 12/20 0.39
BCL2 P10415 2/20 0.38

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
SCHEMBL7850442 0.90 ADA (0.49) ADAMCL1
SCHEMBL7836409 0.88 ADA (0.58) ADAMCL1BCL2
SCHEMBL7848120 0.83 ADA (0.35) ADAMCL1
SCHEMBL7846603 0.81 ADA (0.54) ADA
SCHEMBL7850182 0.79 ADA (0.54) ADA
SCHEMBL7850108 0.77 ADA (0.39) ADA
SCHEMBL6942809 0.77 ADA (0.80) ADA
SCHEMBL7846509 0.75 TP53 (0.41)
SCHEMBL6941940 0.75 ADA (0.80) ADA
SCHEMBL7845082 0.74 ADA (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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