SCHEMBL31725552

SCHEMBL31725552

Nc1cn(CC(F)F)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 7/20 0.46
▸ PKM P14618 1/20 0.41
▸ HTR6 P50406 6/20 0.40
▸ ATM Q13315 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ HSP90AB1 P08238 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ FEN1 P39748 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL31725436 0.78 HTR3A (0.45) HTR3AHTR6ATMHSP90AA1HSP90AB1
SCHEMBL15557238 0.77 HTR3A (0.59) HTR3APKMATM
SCHEMBL17176262 0.77 HTR3A (0.62) HTR3APKMATM
SCHEMBL19068187 0.74 HTR3A (0.59) HTR3APKMATMKMT2A
SCHEMBL17170619 0.74 HTR3A (0.59) HTR3APKMATM
SCHEMBL27809864 0.73 HSP90AA1 (0.42) HTR6HSP90AA1HSP90AB1IDO1PSMB5
SCHEMBL17163315 0.73 HTR3A (0.67) HTR3APKM
SCHEMBL19068181 0.72 HTR3A (0.57) HTR3APKMATM
SCHEMBL19068190 0.72 L3MBTL1 (0.51) HTR3APKMHTR6ATMFEN1
SCHEMBL31725474 0.70 RET (0.43) HSP90AA1HSP90AB1IDO1PSMB5FEN1

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-2025235687-A1 LRRK2 INHIBITORS Brenig Therapeutics, Inc. (US) 2025-11-13 — — WO disclosed
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