SCHEMBL31661613

SCHEMBL31661613

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(C3CCc4sc(N)c(C#N)c4C3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.40
USP1 O94782 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL31661747 0.83 KRAS (0.35) GRM5USP1LMNAGAAHTT
SCHEMBL31661745 0.83 KRAS (0.35) GRM5USP1LMNAGAAHTT
SCHEMBL31661616 0.75 KRAS (0.59) USP1
SCHEMBL31661633 0.72 CHUK (0.34) USP1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL31661659 0.67 LMNA (0.55) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL31661744 0.63 NR1H4 (0.50) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL31661762 0.63 NR1H4 (0.50) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL18865809 0.63 CYP11B2 (0.47) USP1GAA
SCHEMBL25431072 0.62 PTGS2 (0.44) USP1GAANPC1RAB9A
SCHEMBL31661828 0.60 USP1 (0.41) USP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO claimed
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed