SCHEMBL31661776

SCHEMBL31661776

N#Cc1c(N)sc2c1C(c1nc(-c3ccc(Br)cc3F)no1)CCC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.36
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BPTF Q12830 2/20 0.31
ALDH1A1 P00352 2/20 0.30
GAA P10253 2/20 0.30
HSD17B10 Q99714 2/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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 0.72 KRAS (0.35) KRASNPC1RAB9AGAA
SCHEMBL31661745 0.72 KRAS (0.35) KRASNPC1RAB9AGAA
SCHEMBL31661569 0.71 CYP11B2 (0.37)
SCHEMBL240243 0.70 NPC1 (0.52) NPC1RAB9AL3MBTL1
SCHEMBL31661742 0.69 KRAS (0.38) KRASNPC1RAB9AL3MBTL1BPTF
SCHEMBL25763806 0.68 KRAS (0.45) KRAS
SCHEMBL31661751 0.66 KRAS (0.52) KRASBPTFALDH1A1GAAHSD17B10
SCHEMBL15613746 0.60 ADORA2A (0.34) ALDH1A1MAPK1KDM4E
SCHEMBL20254479 0.60 BPTF (0.51) KRASL3MBTL1BPTFALDH1A1GAA
SCHEMBL2894690 0.60 NPC1 (0.45) NPC1RAB9AL3MBTL1ALDH1A1GAA

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