SCHEMBL8533340

SCHEMBL8533340

COc1nc(N)nc2c1ncn2[C@@]1([SiH](C)C)O[C@H](COC(C)(C)C)[C@@H](OC(C)(C)C)[C@@H]1OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL8532580 0.87 FLT4 (0.32)
SCHEMBL8642526 0.87 FLT4 (0.32)
SCHEMBL15954521 0.86
SCHEMBL4759686 0.79 ADORA2A (0.45)
SCHEMBL9183330 0.78 ADORA2A (0.44)
SCHEMBL8533355 0.73 CYP2C19 (0.36)
SCHEMBL8528880 0.73 CYP2C19 (0.36)
SCHEMBL8529064 0.68 CYP2C19 (0.38)
SCHEMBL8534584 0.68 HINT1 (0.45)
SCHEMBL6761673 0.67 POLA1 (0.31)

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-5821236-A Tumor treatment with arabinofuranosyl purine derivatives GLAXO WELLCOME INC. (US) 1998-10-13 US disclosed
US-5747472-A ANTICARCINOGENIC AGENTS AND ANTITUMOR AGENTS GLAXO WELLCOME INC. (US) 1998-05-05 US disclosed
US-5492897-A ANTITUMOR AGENTS, AUTOIMMUNE DISEASES BURROUGHS WELLCOME CO. (141) (US) 1996-02-20 US disclosed