SCHEMBL12469409

SCHEMBL12469409

CN=Cc1nc(-c2ccc(-c3ccc(N)cc3F)c3c2C(=O)NC3)[nH]c1C.Nc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.43
FLT3 P36888 1/20 0.39
PDE7A Q13946 2/20 0.34
BRD4 O60885 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
KDR P35968 1/20 0.31
KIT P10721 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
SCHEMBL12469435 0.82 BTK (0.45) BTKFLT3PDE7ABRD4PIM1
SCHEMBL12469863 0.80 BTK (0.42) BTKFLT3PDE7APIM1PIM2
SCHEMBL12469665 0.80 BTK (0.46) BTKFLT3PDE7APIM1PIM2
SCHEMBL12469532 0.79 BTK (0.42) BTKFLT3PDE7ABRD4PIM1
SCHEMBL12469605 0.79 BTK (0.44) BTKFLT3KDR
SCHEMBL12469588 0.79 BTK (0.43) BTKFLT3PDE7APIM1PIM2
SCHEMBL12469585 0.79 BTK (0.45) BTKFLT3PDE7A
SCHEMBL12469722 0.77 BTK (0.42) BTKFLT3PDE7APIM1PIM2
SCHEMBL12469500 0.77 BTK (0.42) BTKFLT3PDE7APIM1PIM2
SCHEMBL12469592 0.77 BTK (0.44) BTKFLT3PDE7APIM1PIM2

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-2012047017-A2 2,3-DIHYDRO-ISOINDOL-1-ONE DERIVATIVE AND A COMPOSITION COMPRISING THE SAME 크리스탈지노믹스(주) (KR) 2012-04-12 WO disclosed