SCHEMBL18106969

SCHEMBL18106969

CC(C)(C)OC(=O)ON1CCc2[nH]c3ncc(Nc4ccc(Oc5ccccc5)cc4)cc3c2C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.35
MAPT P10636 1/20 0.33
BUB1 O43683 1/20 0.33
PDGFRB P09619 4/20 0.33
MAPK14 Q16539 2/20 0.33
KIT P10721 1/20 0.33
MAPK13 O15264 1/20 0.33
RAF1 P04049 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BTK Q06187 1/20 0.32
SCN9A Q15858 1/20 0.32
CFTR P13569 1/20 0.32

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
SCHEMBL18106971 0.91 MAPT (0.42) MAPTBAZ2BCFTR
SCHEMBL18106974 0.88 EP300 (0.43) KITBAZ2BCFTR
SCHEMBL406798 0.87 MAPT (0.45) MAPTBUB1KITBAZ2BBTK
SCHEMBL18106970 0.84 MAPT (0.42) MAPTPDGFRB
SCHEMBL409364 0.77 MAPT (0.55) MAPTBAZ2BCFTR
SCHEMBL407463 0.74 MKNK1 (0.55) MAPTBAZ2BCFTR
SCHEMBL407207 0.71 MAPT (0.49) MAPTKITCFTR
SCHEMBL18106968 0.65 MAPT (0.47) MAPTMAPK14BAZ2B
SCHEMBL404753 0.64 BAZ2B (0.48) MAPTBAZ2BCFTR
SCHEMBL18106972 0.63 MAPT (0.43) MAPTKITBAZ2B

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-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed