SCHEMBL6935334

SCHEMBL6935334

Cn1cc(CC[C@H](CO[Si](C)(C)C(C)(C)C)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccccc3)ccc21

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADA P00813 19/20 0.81
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 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
SCHEMBL6942581 0.93 ADA (0.81) ADA
SCHEMBL6938182 0.93 ADA (0.69) ADA
SCHEMBL6938856 0.90 ADA (0.80) ADA
SCHEMBL6940649 0.90 ADA (1.00) ADA
SCHEMBL6935340 0.86 ADA (0.72) ADAEGFRIGF1RFLT4KDR
SCHEMBL6935332 0.85 ADA (0.57) ADA
SCHEMBL6940660 0.85 ADA (0.58) ADA
SCHEMBL6938565 0.84 ADA (0.80) ADA
SCHEMBL7850071 0.83 ADA (0.56) ADA
SCHEMBL6941940 0.83 ADA (0.80) 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