SCHEMBL11043640

SCHEMBL11043640

C[C@H]1O[C@@H](N2CN(NC(CCN)CCN)c3c(N)ncnc32)C(O)C1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSPA8 P11142 1/20 0.39
ADK P55263 11/20 0.39
FBP1 P09467 1/20 0.36
ADORA3 P0DMS8 2/20 0.33
SRM P19623 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
SCHEMBL11041141 0.96 HSPA8 (0.37) HSPA8ADKFBP1SRM
SCHEMBL11165275 0.96 HSPA8 (0.38) HSPA8ADKFBP1ADORA3SRM
SCHEMBL11042514 0.95 HSPA8 (0.37) HSPA8ADKFBP1SRM
SCHEMBL11040775 0.94 SRM (0.37) HSPA8ADKFBP1SRM
SCHEMBL11037778 0.94 SRM (0.37) HSPA8ADKFBP1SRM
SCHEMBL11044266 0.94 SRM (0.37) HSPA8ADKFBP1SRM
SCHEMBL11040836 0.94 SRM (0.37) HSPA8ADKFBP1SRM
Hydrochloric Acid SCHEMBL11043513 0.94 SRM (0.37) HSPA8ADKFBP1SRM
SCHEMBL11310700 0.83 HSPA8 (0.36) HSPA8ADKFBP1ADORA3SRM
SCHEMBL10005056 0.81 HSPA8 (0.41) HSPA8ADKFBP1ADORA3

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
EP-0037310-B1 SUBSTITUTED DEOXYADENOSINE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1984-05-09 EP disclosed
US-4374128-A TREATING RAPID CELL PROLIFERATION MERRELL TORAUDE ET COMPAGNIE (FR) 1983-02-15 US disclosed
EP-0037310-A1 Substituted deoxyadenosine derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1981-10-07 EP disclosed