SCHEMBL31661747

SCHEMBL31661747

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(C3CCCc4sc(N)c(C#N)c43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KRAS P01116 5/20 0.35
USP1 O94782 1/20 0.34
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
GRM5 P41594 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SOS1 Q07889 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL31661745 1.00 KRAS (0.35) KRASUSP1HDAC6HDAC1HDAC8
SCHEMBL31661613 0.83 GRM5 (0.40) USP1GRM5NPC1RAB9ALMNA
SCHEMBL31661616 0.78 KRAS (0.59) KRASUSP1SOS1SCN9A
SCHEMBL31661811 0.76 KRAS (0.43) KRASUSP1GAAHTTSCN9A
SCHEMBL31661776 0.72 KRAS (0.36) KRASNPC1RAB9AGAA
SCHEMBL31661633 0.72 CHUK (0.34) USP1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL31661659 0.67 LMNA (0.55) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL25763806 0.66 KRAS (0.45) KRASSOS1
SCHEMBL31661742 0.65 KRAS (0.38) KRASNPC1RAB9ASOS1GAA
SCHEMBL31661762 0.63 NR1H4 (0.50) NPC1RAB9ALMNASMN1; SMN2

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 claimed