SCHEMBL18708173

SCHEMBL18708173

CC[C@@]12O[C@@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@@H](OC13CC3)C2OP(C)OCCC#N

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.32
▸ RIN1 Q13671 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
SCHEMBL18503734 1.00 ABL1 (0.32) ABL1RIN1
SCHEMBL26621807 0.87 — —
SCHEMBL18503737 0.84 ABL1 (0.36) ABL1RIN1
SCHEMBL18708170 0.84 ABL1 (0.36) ABL1RIN1
SCHEMBL18503746 0.83 P2RY12 (0.38) —
SCHEMBL18708182 0.83 P2RY12 (0.38) —
SCHEMBL14702196 0.83 ABL1 (0.32) ABL1RIN1
SCHEMBL18708175 0.81 ABL1 (0.39) ABL1RIN1
SCHEMBL18503738 0.81 ABL1 (0.39) ABL1RIN1
SCHEMBL26621810 0.81 ABL1 (0.35) ABL1RIN1

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-9611479-B2 Crosslinked nucleoside and nucleotide OSAKA UNIVERSITY (JP) 2017-04-04 — — US disclosed
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