SCHEMBL31661811

SCHEMBL31661811

Cn1cc(C(F)(F)F)nc1-c1ccc(C(=N)NOC(=O)C2CCCc3sc(N)c(C#N)c32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.33
USP1 O94782 6/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
HPGD P15428 2/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
SCHEMBL31661808 0.81 KRAS (0.45) KRASKDM4EALDH1A1HSD17B10MEN1
SCHEMBL31661786 0.76 ADRB2 (0.35) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL31661745 0.76 KRAS (0.35) KRASGAASCN9AUSP1HTT
SCHEMBL31661747 0.76 KRAS (0.35) KRASGAASCN9AUSP1HTT
SCHEMBL31661812 0.72 ADRB2 (0.45) KDM4EALDH1A1HSD17B10USP1CYP3A4
SCHEMBL31661751 0.69 KRAS (0.52) KRASKDM4EALDH1A1HSD17B10MEN1
SCHEMBL24091680 0.66 ALDH1A1 (0.86) KRASKDM4EALDH1A1HSD17B10MEN1
SCHEMBL31661760 0.66 USP1 (0.41) KDM4EALDH1A1HSD17B10USP1CYP3A4
SCHEMBL31661763 0.66 PTGS2 (0.39) KDM4EALDH1A1HSD17B10USP1CYP3A4
SCHEMBL22122022 0.64 ADORA2A (0.46) KDM4EALDH1A1HSD17B10MEN1GAA

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