SCHEMBL26814901

SCHEMBL26814901

Cc1cn2nc(B3OC(C)(C)C(C)(C)O3)cc(C(F)F)c2n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL27008050 0.88 ALDH1A1 (0.31) ALDH1A1HPGDHSD17B10
SCHEMBL17260845 0.82 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10
SCHEMBL25435839 0.82 HPGD (0.31) ALDH1A1HPGDHSD17B10
SCHEMBL27008088 0.81 GRM4 (0.31) —
SCHEMBL25438598 0.78 ALDH1A1 (0.31) ALDH1A1HPGDHSD17B10
SCHEMBL27008083 0.78 ALDH1A1 (0.31) ALDH1A1HPGDHSD17B10
SCHEMBL27008199 0.77 SMPD3 (0.32) ALDH1A1HPGDHSD17B10
SCHEMBL25151318 0.77 IRAK4 (0.33) —
SCHEMBL27008131 0.76 ALDH1A1 (0.30) ALDH1A1HPGDHSD17B10
SCHEMBL26664321 0.75 KDM4E (0.39) KDM4ETSHRALDH1A1HPGDHSD17B10

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-2023225244-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2023-11-23 — — WO disclosed
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