SCHEMBL25463483

SCHEMBL25463483

CCc1nc(C(F)(F)F)c2n1CCNC2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ USP1 O94782 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
SCHEMBL25517543 0.80 HTR2C (0.33) ALDH1A1USP1
SCHEMBL23264169 0.77 USP1 (0.33) ALDH1A1USP1
SCHEMBL23264140 0.76 USP1 (0.30) USP1
SCHEMBL30993243 0.76 HTR2A (0.31) —
SCHEMBL25464139 0.76 USP1 (0.30) USP1
Hydrochloric Acid SCHEMBL31023101 0.75 HTR2A (0.31) —
SCHEMBL13798578 0.73 — —
SCHEMBL14898430 0.72 CXCR4 (0.31) —
SCHEMBL21998817 0.68 SOD3 (0.32) ALDH1A1
SCHEMBL22143277 0.68 USP1 (0.46) ALDH1A1USP1

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-2023083297-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 — — WO disclosed
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