SCHEMBL24006303

SCHEMBL24006303

Cc1cc(Nc2cccc(C(=O)Nc3ccc(Oc4ccncc4)cc3)c2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.61
NT5E P21589 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
RAF1 P04049 2/20 0.50
KDR P35968 1/20 0.50
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
AR P10275 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
DNMT1 P26358 1/20 0.47
DNMT3A Q9Y6K1 1/20 0.47
PGR P06401 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL24010375 0.93 LMNA (0.53) MAPK13NT5ELMNAHTTRAF1
SCHEMBL30290814 0.93 LMNA (0.53) MAPK13NT5ELMNAHTTRAF1
SCHEMBL24006367 0.91 NT5E (0.61) MAPK13NT5ELMNAHTTKMT2A
SCHEMBL30287680 0.91 NT5E (0.61) MAPK13NT5ELMNAHTTKMT2A
SCHEMBL24010361 0.90 GRM5 (0.54) MAPK13NT5ELMNAHTTKMT2A
SCHEMBL23999626 0.90 LMNA (0.55) MAPK13LMNAKMT2ANPC1MEN1
SCHEMBL24006298 0.90 MAPK13 (0.57) MAPK13NT5ELMNAHTTRAF1
SCHEMBL24003736 0.87 RAF1 (0.51) MAPK13LMNAHTTRAF1KMT2A
SCHEMBL30232529 0.87 RAF1 (0.51) MAPK13LMNAHTTRAF1KMT2A
SCHEMBL24011296 0.86 KCNK3 (0.61) NT5ELMNAHTTKCNK3KCNK9

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
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2021226477-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed