SCHEMBL6942826

SCHEMBL6942826

CC(C)(C)[Si](C)(C)OC[C@@H](CCn1ccc2ccc(NC(=O)CCc3cccnc3)cc21)n1cnc(C(N)=O)c1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADA P00813 18/20 0.80
ADRA2B P18089 1/20 0.39
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL6942384 0.93 ADA (0.79) ADA
SCHEMBL6935383 0.90 ADA (0.81) ADA
SCHEMBL6938454 0.89 ADA (1.00) ADA
SCHEMBL6936386 0.89 ADA (0.76) ADA
SCHEMBL6942527 0.88 ADA (0.82) ADA
SCHEMBL7848239 0.88 ADA (0.80) ADA
SCHEMBL6940327 0.88 ADA (0.80) ADA
SCHEMBL6942833 0.87 ADA (0.72) ADAADRA2BWNT1GSK3BDYRK1A
SCHEMBL6938294 0.86 ADA (0.80) ADA
SCHEMBL6936163 0.86 ADA (0.81) 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 1 patent. 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