SCHEMBL31725436

SCHEMBL31725436

Nc1cn(CC(F)(F)F)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 6/20 0.45
▸ HTR6 P50406 7/20 0.43
▸ ATM Q13315 1/20 0.39
▸ DYRK1A Q13627 1/20 0.36
▸ RET P07949 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ GSK3B P49841 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
▸ 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
▸ METAP2 P50579 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
SCHEMBL31725552 0.78 HTR3A (0.46) HTR3AHTR6ATMHSP90AA1HSP90AB1
SCHEMBL17176249 0.77 HTR3A (0.60) HTR3AATM
SCHEMBL19068184 0.74 HTR3A (0.57) HTR3AATMKMT2A
SCHEMBL27809864 0.73 HSP90AA1 (0.42) HTR6HSP90AA1HSP90AB1IDO1PSMB5
SCHEMBL17170603 0.73 HTR3A (0.59) HTR3AATM
SCHEMBL1825003 0.70 HTR3A (0.54) HTR3AATM
SCHEMBL15792325 0.69 DYRK1A (0.49) DYRK1AGSK3BHSP90AA1HSP90AB1IDO1
SCHEMBL12146969 0.69 HSP90AA1 (0.42) HTR6DYRK1AHSP90AA1HSP90AB1IDO1
SCHEMBL26597000 0.69 HSP90AA1 (0.39) HTR6DYRK1ARETKDRHSP90AA1
SCHEMBL26619531 0.68 HSP90AA1 (0.35) HTR6ATMDYRK1ARETHSP90AA1

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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