SCHEMBL6602055

SCHEMBL6602055

CC(C)(C)n1nc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(C(=O)O)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
KDR P35968 13/20 0.52
KIT P10721 9/20 0.51
FLT3 P36888 8/20 0.51
FLT1 P17948 6/20 0.51
LCK P06239 6/20 0.51
LYN P07948 6/20 0.51
FLT4 P35916 6/20 0.51
BLK P51451 6/20 0.51
NTRK2 Q16620 6/20 0.51
AURKB Q96GD4 6/20 0.51
CSF1R P07333 5/20 0.51
EPHA2 P29317 5/20 0.51
NTRK1 P04629 5/20 0.51
ROCK2 O75116 4/20 0.51
FYN P06241 4/20 0.51

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
SCHEMBL4260583 0.92 KDR (0.55) MEN1MAPTHTTRAB9AKMT2A
SCHEMBL4260556 0.83 RIPK2 (0.53) MEN1KMT2AKDRLCKSRC
SCHEMBL6614917 0.81 RIPK2 (0.51) MEN1KMT2AKDRKITFLT3
SCHEMBL6614602 0.81 RIPK2 (0.50) KDRKITFLT3FLT1LCK
SCHEMBL4257173 0.80 KDR (0.58) MEN1MAPTHTTRAB9AKMT2A
SCHEMBL6613292 0.79 KDR (0.55) MEN1MAPTHTTRAB9AKMT2A
SCHEMBL4261925 0.79 RIPK2 (0.69) KDRFLT3FLT1LCKAURKB
SCHEMBL4258858 0.79 RET (0.55) KDRKITFLT3FLT1LCK
SCHEMBL4255774 0.78 RIPK2 (0.59) MEN1KMT2AKDRKITFLT3
SCHEMBL4262663 0.78 RIPK2 (0.58) KDRFLT1LCKNTRK1RET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436265-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP claimed
EP-1436265-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-07-14 EP claimed
WO-2003072541-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-04 WO claimed