SCHEMBL5403452

SCHEMBL5403452

O=C1Nc2ccc(F)cc2C1=C1OCc2n[c]ccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TOP1 P11387 2/20 0.35
RPS6KA3 P51812 1/20 0.34
KDR P35968 3/20 0.34
CDK2 P24941 1/20 0.34
PDGFRB P09619 2/20 0.34
KIT P10721 2/20 0.34
FLT3 P36888 3/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
MAPT P10636 1/20 0.32
FABP6 P51161 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL12225649 0.83 MEN1 (0.40) LRRK2KMT2AMEN1TOP1RPS6KA3
SCHEMBL2199212 0.83 MEN1 (0.40) LRRK2KMT2AMEN1TOP1RPS6KA3
SCHEMBL2199214 0.83 MEN1 (0.40) LRRK2KMT2AMEN1TOP1RPS6KA3
SCHEMBL2199443 0.81 MAPK14 (0.42) LRRK2KMT2AMEN1TOP1RPS6KA3
SCHEMBL12225647 0.81 MAPK14 (0.42) LRRK2KMT2AMEN1TOP1RPS6KA3
SCHEMBL2199448 0.81 MAPK14 (0.42) LRRK2KMT2AMEN1TOP1RPS6KA3
SCHEMBL6087391 0.77 KMT2A (0.46) LRRK2KMT2AMEN1TOP1RPS6KA3
SCHEMBL6087395 0.77 KMT2A (0.46) LRRK2KMT2AMEN1TOP1RPS6KA3
SCHEMBL2201338 0.77 ALK (0.38) LRRK2KMT2AMEN1TOP1RPS6KA3
SCHEMBL2201334 0.77 ALK (0.38) LRRK2KMT2AMEN1TOP1RPS6KA3

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
WO-2007109596-A2 HETEROARYL DIHYDROINDOLONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2007-09-27 WO disclosed