SCHEMBL31662023

SCHEMBL31662023

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCCN4CCCC4=O)cc3F)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.42
EGFR P00533 7/20 0.41
ITK Q08881 5/20 0.41
FFAR1 O14842 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL31662150 0.90 CCNC (0.43) PDK2EGFRITKCCNCCDK8
SCHEMBL31662065 0.88 PRKAB2 (0.39) PDK2EGFR
SCHEMBL31662183 0.87 SCN9A (0.39) PDK2
SCHEMBL31661868 0.86 PDK2 (0.38) PDK2POLBALDH1A1KDM4E
SCHEMBL31662208 0.83 HPGD (0.42) ALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL31661852 0.83 PDK2 (0.38) PDK2
SCHEMBL31662441 0.82 SCN9A (0.37) FFAR1
SCHEMBL31661880 0.81 AXL (0.36) SMN1; SMN2
SCHEMBL31661937 0.81 PDE3B (0.39) POLBALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL31662469 0.81 PRKAB2 (0.45) PDK2EGFRFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed