SCHEMBL31294085

SCHEMBL31294085

COC(=O)c1c(C(F)(F)F)ccn1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.43
CFTR P13569 5/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRA P16234 1/20 0.37
PRKACA P17612 1/20 0.37

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
SCHEMBL16031477 0.76 MEN1 (0.44) NOTUMKDM4EALDH1A1GAATDP1
SCHEMBL2446096 0.75 DAPK3 (0.41) CFTRKDM4EALDH1A1GAATDP1
SCHEMBL16032673 0.74 FFAR4 (0.44) NOTUMKDM4EALDH1A1GAAPOLB
SCHEMBL4247977 0.74 ABL1 (0.40) CFTRKDM4EALDH1A1GAAPOLB
SCHEMBL13731286 0.74 DAPK3 (0.40) NOTUMCFTRKDM4EALDH1A1TDP1
SCHEMBL27077836 0.73 NOTUM (0.38) NOTUMCFTRKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL1396143 0.72 ABL1 (0.39) CFTRKDM4EALDH1A1GAAPOLB
SCHEMBL20101952 0.71 ALDH1A1 (0.40) CFTRKDM4EALDH1A1GAATDP1
Ethane SCHEMBL15559374 0.71 ABL1 (0.38) NOTUMCFTRKDM4EALDH1A1GAA
SCHEMBL13505506 0.71 GAA (0.49) KDM4EALDH1A1GAAPOLBMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747256-A1 PARP1 INHIBITOR COMPOUNDS Duke Street Bio Limited (GB) 2026-05-27 EP disclosed
WO-2025073583-A1 PARP1 INHIBITOR COMPOUNDS Duke Street Bio Limited (GB) 2025-04-10 WO disclosed
WO-2025026745-A1 PARP1 INHIBITOR COMPOUNDS Duke Street Bio Limited (GB) 2025-02-06 WO disclosed