SCHEMBL28918261

SCHEMBL28918261

Nc1cnn(C2CCN(CC(F)C(F)F)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.38
ACHE P22303 3/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
DRD4 P21917 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MET P08581 1/20 0.31
MAP3K12 Q12852 1/20 0.30
BMPR1A P36894 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30
OGA O60502 1/20 0.30
DYRK1A Q13627 1/20 0.30
MAP4K3 Q8IVH8 1/20 0.30

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
SCHEMBL15650507 0.83 KDM5A (0.44) KDM5AFGFR1FGFR2FGFR3DRD4
SCHEMBL15651751 0.78 DYRK1A (0.41) KDM5AACHEFGFR1FGFR2FGFR3
SCHEMBL28918285 0.78 DRD4 (0.36) ACHEFGFR1FGFR2FGFR3DRD4
SCHEMBL22648410 0.78 KDM5A (0.41) KDM5AACHEDRD4SIGMAR1MET
SCHEMBL17076783 0.77 FGFR1 (0.42) KDM5AACHEFGFR1FGFR2FGFR3
SCHEMBL22648374 0.77 MET (0.38) KDM5AACHEDRD4SIGMAR1MET
SCHEMBL10191753 0.75 BTK (0.41) KDM5AACHEDRD4METDYRK1A
SCHEMBL23612181 0.75 GSK3B (0.45) KDM5AACHEFGFR1FGFR2FGFR3
SCHEMBL173506 0.75
SCHEMBL13734972 0.74 JAK1 (0.43) KDM5AACHEDRD4SIGMAR1MAP3K12

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
CN-115348957-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2022-11-15 CN disclosed