SCHEMBL12469588

SCHEMBL12469588

Cc1nc(-c2ccc(-c3ccc(N)cc3F)c3c2C(=O)NC3)[nH]c1CN(C)C.Nc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.43
FLT3 P36888 1/20 0.39
CSF1R P07333 3/20 0.33
MAP4K1 Q92918 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAP4K3 Q8IVH8 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
MAP4K5 Q9Y4K4 1/20 0.32
PDE7A Q13946 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 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
SCHEMBL12469500 0.93 BTK (0.42) BTKFLT3CSF1RMAP4K1CYP1A2
SCHEMBL12469722 0.91 BTK (0.42) BTKFLT3CSF1RPDE7APIM1
SCHEMBL12469665 0.89 BTK (0.46) BTKFLT3CSF1RPDE7APIM1
SCHEMBL12469585 0.88 BTK (0.45) BTKFLT3CSF1RPDE7A
SCHEMBL12469479 0.87 BTK (0.44) BTKFLT3CSF1RPIM1PIM2
SCHEMBL12469592 0.86 BTK (0.44) BTKFLT3CSF1RPDE7APIM1
SCHEMBL12469852 0.84 BTK (0.42) BTKFLT3CSF1R
SCHEMBL12469587 0.83 BTK (0.43) BTKFLT3CSF1RCYP2D6KCNH2
SCHEMBL1292735 0.82 BTK (0.54) BTKFLT3
SCHEMBL12469269 0.82 BTK (0.46) BTKFLT3CSF1RPIM1PIM2

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