SCHEMBL12469246

SCHEMBL12469246

Cc1nc(-c2ccc(-c3ccc(N)cc3F)c3c2C(=O)NC3)[nH]c1CNCCN1CCCC1.Nc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.41
FLT3 P36888 1/20 0.38
MAP4K4 O95819 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PDGFRB P09619 3/20 0.32
KDR P35968 3/20 0.32
KIT P10721 2/20 0.32
CSF1R P07333 1/20 0.32
FGFR1 P11362 1/20 0.32
TLK2 Q86UE8 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 0.87 BTK (0.44) BTKFLT3KDRKITCSF1R
SCHEMBL12469585 0.85 BTK (0.45) BTKFLT3CSF1R
SCHEMBL12469587 0.84 BTK (0.43) BTKFLT3GRIN2BCSF1R
SCHEMBL12469269 0.84 BTK (0.46) BTKFLT3KDRCSF1R
SCHEMBL12469852 0.83 BTK (0.42) BTKFLT3CSF1R
SCHEMBL1292440 0.82 BTK (0.42) BTKFLT3PDGFRBKDRKIT
SCHEMBL12469665 0.82 BTK (0.46) BTKFLT3KDRCSF1R
SCHEMBL12469483 0.81 BTK (0.39) BTKFLT3PDGFRBKDRKIT
SCHEMBL12469588 0.81 BTK (0.43) BTKFLT3CSF1R
SCHEMBL12469500 0.79 BTK (0.42) BTKFLT3CSF1R

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