SCHEMBL31489285

SCHEMBL31489285

CC(=O)C(c1ccc(F)cc1)n1cc(Br)c(C#N)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 4/20 0.34
ALPG P10696 2/20 0.34
HTR2A P28223 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLC1A2 P43004 1/20 0.33
KCNH2 Q12809 1/20 0.33
HPGD P15428 2/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MET P08581 2/20 0.31
KDM5A P29375 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 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
SCHEMBL31489533 0.76 AR (0.31) MET
SCHEMBL31489260 0.73 HDAC3 (0.34) LMNAALDH1A1HPGDHTTHDAC3
SCHEMBL31489694 0.71 ALDH1A1 (0.33) SMN1; SMN2LMNAALDH1A1HTR2ATDP1
SCHEMBL15723770 0.68 KDM5A (0.34) KDM5A
SCHEMBL24638484 0.67 KDM5A (0.36) SMN1; SMN2ALDH1A1HPGDUSP2NPSR1
SCHEMBL31489647 0.67 POLB (0.37) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL16751956 0.65 KDM5A (0.39) ALDH1A1HPGDUSP2NPSR1KDM5A
SCHEMBL1720514 0.62 LMNA (0.51) SMN1; SMN2LMNAALDH1A1ALPGTDP1
SCHEMBL9190575 0.62 EPHX2 (0.49) SMN1; SMN2LMNAALDH1A1ALPGTDP1
SCHEMBL16644146 0.60 RXRA (0.33)

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed