SCHEMBL19997439

SCHEMBL19997439

C[C@]1(OCc2ccccc2)C(O)(c2cnc3c(N)ncnn23)O[C@@H]2C(OCc3ccccc3)[C@@]21OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 9/20 0.36
▸ NTRK1 P04629 1/20 0.32
▸ NTRK2 Q16620 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
SCHEMBL24168593 0.87 DCPS (0.31) —
SCHEMBL19088156 0.87 TNK2 (0.37) TNK2NTRK1NTRK2
SCHEMBL19997395 0.84 — —
SCHEMBL19997428 0.84 — —
SCHEMBL19997433 0.84 TLR7 (0.31) —
SCHEMBL23278043 0.84 TLR7 (0.31) —
SCHEMBL12393235 0.80 HSPA5 (0.37) TNK2
SCHEMBL19997384 0.78 — —
SCHEMBL19997387 0.78 TNK2 (0.34) TNK2
SCHEMBL23278050 0.78 TNK2 (0.36) TNK2NTRK1NTRK2

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-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
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