SCHEMBL31727596

SCHEMBL31727596

O=C(Nc1c(F)cccc1F)c1cnc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK14 Q16539 7/20 0.45
LCK P06239 11/20 0.44
MAPK13 O15264 1/20 0.44
EGFR P00533 1/20 0.44
FYN P06241 1/20 0.44
HCK P08631 1/20 0.44
SRC P12931 1/20 0.44
JAK3 P52333 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL31728496 0.93 MAPK14 (0.51) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31727679 0.85 SMN1; SMN2 (0.55) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL16321002 0.84 IL2 (0.42) IL2MAPK14LCKMAPK13EGFR
SCHEMBL12703109 0.79 LMNA (0.51) MAPK14LCKMAPK13EGFRFYN
SCHEMBL31728413 0.79 MAPK14 (0.70) MAPK14LCKMAPK13EGFRFYN
SCHEMBL1147098 0.79 MAPK14 (0.70) MAPK14LCKMAPK13EGFRFYN
SCHEMBL11925387 0.77 PTPN1 (0.59) KDM4EMAPK14EGFRSMN1; SMN2
SCHEMBL5052756 0.74 IL2 (0.69) IL2KDM4EMAPK14LCKMAPK11
SCHEMBL15705241 0.74 IL2 (0.48) IL2MAPK14LCKMAPK13EGFR
SCHEMBL11981315 0.73 HTT (0.55) KDM4EMAPK14LCKMAPK13EGFR

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-2025231563-A1 SUBSTITUTED TRICYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 WO disclosed
WO-2025231561-A1 TERTIARY AMINE-SUBSTITUTED BIPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 WO disclosed