SCHEMBL27435641

SCHEMBL27435641

CC(C)NC(=O)c1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.69
▸ TSHR P16473 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ ADORA3 P0DMS8 4/20 0.58

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
SCHEMBL27434733 0.86 SLC29A1 (0.71) SLC29A1TSHRCYP3A4NFKB1BLM
SCHEMBL27437734 0.83 ADORA3 (0.76) SLC29A1TSHRADORA3
SCHEMBL27430561 0.82 SLC29A1 (0.76) SLC29A1TSHRCYP3A4NFKB1BLM
SCHEMBL27433002 0.81 SLC29A1 (0.75) SLC29A1TSHRCYP3A4NFKB1BLM
SCHEMBL27429819 0.81 SLC29A1 (0.71) SLC29A1TSHRCYP3A4NFKB1BLM
SCHEMBL27432338 0.80 SLC29A1 (0.70) SLC29A1ADORA3
SCHEMBL27429372 0.80 SLC29A1 (0.67) SLC29A1TSHRCYP3A4NFKB1BLM
SCHEMBL27429365 0.79 SLC29A1 (0.69) SLC29A1ADORA3
SCHEMBL27435763 0.79 SLC29A1 (0.66) SLC29A1TSHRCYP3A4NFKB1BLM
SCHEMBL27432463 0.79 SLC29A1 (0.66) SLC29A1ADORA3

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
WO-2024134541-A1 HETEROCYCLIC COMPOUNDS AS ENT INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2024-06-27 — — WO disclosed
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