SCHEMBL31661633

SCHEMBL31661633

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3cccc4sc(N)c(C#N)c34)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.34
TXNRD1 Q16881 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
NPC1 O15118 2/20 0.34
NFKB1 P19838 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
USP1 O94782 12/20 0.33
SCN9A Q15858 1/20 0.32
S1PR1 P21453 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 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
SCHEMBL31661657 0.76 NPC1 (0.40) CHUKTXNRD1NOX4NPC1NFKB1
SCHEMBL31661786 0.76 ADRB2 (0.35) MEN1KMT2AUSP1SCN9AMAPK1
SCHEMBL31661587 0.75 SMN1; SMN2 (0.56) CHUKTXNRD1NOX4NPC1NFKB1
SCHEMBL31661659 0.74 LMNA (0.55) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL31661616 0.73 KRAS (0.59) USP1SCN9A
SCHEMBL31661524 0.73 CA12 (0.39) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL31661744 0.70 NR1H4 (0.50) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL31661762 0.70 NR1H4 (0.50) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL31661641 0.70 S1PR1 (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL31661677 0.69 USP1 (0.52) CHUKTXNRD1NOX4NPC1NFKB1

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