SCHEMBL1759073

SCHEMBL1759073

CC(CF)(CF)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3ccc(OCCN5CCOCC5)cc34)cc2)no1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 20/20 0.87
KDR P35968 2/20 0.80
BMPR1B O00238 1/20 0.80
MUSK O15146 1/20 0.80
EPHB6 O15197 1/20 0.80
MAP3K7 O43318 1/20 0.80
RIPK2 O43353 1/20 0.80
PAK3 O75914 1/20 0.80
STK10 O94804 1/20 0.80
MAP4K4 O95819 1/20 0.80
ABL1 P00519 1/20 0.80
NTRK1 P04629 1/20 0.80
LCK P06239 1/20 0.80
CSF1R P07333 1/20 0.80
YES1 P07947 1/20 0.80
LYN P07948 1/20 0.80
RET P07949 1/20 0.80
PDGFRB P09619 1/20 0.80
KIT P10721 1/20 0.80
PDGFRA P16234 1/20 0.80

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
SCHEMBL1759071 0.95 FLT3 (0.89) FLT3KDRBMPR1BMUSKEPHB6
SCHEMBL72924 0.93 FLT3 (1.00) FLT3KDRBMPR1BMUSKEPHB6
Hydrochloric Acid SCHEMBL742748 0.93 FLT3 (0.99) FLT3KDRBMPR1BMUSKEPHB6
Hydrochloric Acid SCHEMBL74122 0.93 FLT3 (0.99) FLT3KDRBMPR1BMUSKEPHB6
SCHEMBL1759300 0.92 FLT3 (0.87) FLT3KDRBMPR1BMUSKEPHB6
SCHEMBL769118 0.90 FLT3 (1.00) FLT3KDRBMPR1BMUSKEPHB6
Quizartinib SCHEMBL29349937 0.89 FLT3 (1.00) FLT3KDRBMPR1BMUSKEPHB6
Quizartinib SCHEMBL72923 0.89 FLT3 (1.00) FLT3KDRBMPR1BMUSKEPHB6
Quizartinib SCHEMBL742377 0.88 FLT3 (1.00) FLT3KDRBMPR1BMUSKEPHB6
Quizartinib SCHEMBL29435035 0.88 FLT3 (1.00) FLT3KDRBMPR1BMUSKEPHB6

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-2011056764-A1 ISOTOPICALLY ENRICHED OR FLUORINATED IMIDAZO[2,1-B][1,3]BENZOTHIAZOLES AMBIT BIOSCIENCES CORP. (US) 2011-05-12 WO disclosed