SCHEMBL31328754

SCHEMBL31328754

C[C@]1(C(=O)ONC=N)CCCc2sc(N)c(C#N)c21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KRAS P01116 9/20 0.66
BPTF Q12830 3/20 0.36
SOS1 Q07889 2/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 4/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
USP2 O75604 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 2/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL38652202 0.86 KRAS (0.75) KRASBPTFSOS1ALDH1A1GAA
SCHEMBL24091435 0.81 KRAS (0.70) KRASBPTFSOS1ALDH1A1GAA
SCHEMBL31328651 0.80 KRAS (1.00) KRASBPTFSOS1ALDH1A1GAA
SCHEMBL24091440 0.80 KRAS (1.00) KRASBPTFSOS1ALDH1A1GAA
SCHEMBL24091569 0.80 KRAS (1.00) KRASBPTFSOS1ALDH1A1GAA
SCHEMBL24091348 0.74 KRAS (0.59) KRASBPTFALDH1A1GAAHSD17B10
SCHEMBL24091446 0.72 KRAS (0.85) KRASBPTFSOS1ALDH1A1GAA
SCHEMBL24091565 0.72 KRAS (0.85) KRASBPTFSOS1ALDH1A1GAA
SCHEMBL24785070 0.71 KRAS (1.00) KRASBPTFSOS1ALDH1A1GAA
SCHEMBL31328692 0.70 KRAS (0.67) KRASBPTFSOS1ALDH1A1GAA

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-2025040767-A1 2-(3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL)-1,3,5-TRIAZINE DERIVATIVES AS KRAS G12D INHIBITORS FOR THE TREATMENT OF CANCER SANOFI (FR) 2025-02-27 WO disclosed