SCHEMBL12469587

SCHEMBL12469587

Cc1nc(-c2ccc(-c3ccc(N)cc3F)c3c2C(=O)NC3)[nH]c1CNCC1CC1.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
CSF1R P07333 5/20 0.34
FFAR1 O14842 1/20 0.32
MAPK14 Q16539 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 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
SCHEMBL12469592 0.90 BTK (0.44) BTKFLT3CSF1R
SCHEMBL12469852 0.89 BTK (0.42) BTKFLT3CSF1R
SCHEMBL12469585 0.88 BTK (0.45) BTKFLT3CSF1R
SCHEMBL12469269 0.86 BTK (0.46) BTKFLT3CSF1R
SCHEMBL12469665 0.86 BTK (0.46) BTKFLT3CSF1R
SCHEMBL1292598 0.85 BTK (0.51) BTKFLT3MAPK14
SCHEMBL12469246 0.84 BTK (0.41) BTKFLT3CSF1RGRIN2B
SCHEMBL12469588 0.83 BTK (0.43) BTKFLT3CSF1RCYP2D6KCNH2
SCHEMBL12469722 0.82 BTK (0.42) BTKFLT3CSF1R
SCHEMBL12469500 0.82 BTK (0.42) BTKFLT3CSF1RCYP2D6KCNH2

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