SCHEMBL26083096

SCHEMBL26083096

Cc1cc(NC(=O)OC(C)(C)C)ncc1NO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
MDM2 Q00987 1/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
LCK P06239 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
MAPK1 P28482 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
SCHEMBL31600744 0.87 RAB9A (0.51) GSK3BDYRK1ARAB9ANPC1SMN1; SMN2
SCHEMBL12225872 0.85 GSK3B (0.48) GSK3BDYRK1ALCKCA12CA1
SCHEMBL30298062 0.81 GSK3B (0.46) GSK3BDYRK1ALCKCA12CA1
SCHEMBL30107231 0.81 GSK3B (0.46) GSK3BDYRK1ALCKCA12CA1
SCHEMBL5908666 0.81 GSK3B (0.46) GSK3BDYRK1ARAB9ANPC1SMN1; SMN2
SCHEMBL16905389 0.81 GSK3B (0.46) GSK3BDYRK1ALCKCA12CA1
SCHEMBL26125387 0.81 GSK3B (0.46) GSK3BDYRK1ALCKCA12CA1
SCHEMBL25345910 0.80 GSK3B (0.45) GSK3BDYRK1ALCKCA12CA1
SCHEMBL16753674 0.80 GSK3B (0.45) GSK3BDYRK1ALCKCA12CA1
SCHEMBL19200617 0.79 ATR (0.49) GSK3BDYRK1ARAB9ALCKCA12

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
EP-3668867-B1 SYNTHESIS, PHARMACOLOGY AND USE OF NEW AND SELECTIVE FMS-LIKE TYROSINE KINASE 3 (FLT3) FLT3 INHIBITORS UNIV REGENSBURG (DE) 2023-10-04 EP disclosed