SCHEMBL1759300

SCHEMBL1759300

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

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 19/20 0.87
KDR P35968 3/20 0.80
CSF1R P07333 2/20 0.80
RET P07949 2/20 0.80
PDGFRB P09619 2/20 0.80
KIT P10721 2/20 0.80
DDR1 Q08345 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
YES1 P07947 1/20 0.80
LYN P07948 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
SCHEMBL1759297 0.95 FLT3 (0.88) FLT3KDRCSF1RRETPDGFRB
SCHEMBL72924 0.93 FLT3 (1.00) FLT3KDRCSF1RRETPDGFRB
Hydrochloric Acid SCHEMBL742748 0.93 FLT3 (0.99) FLT3KDRCSF1RRETPDGFRB
Hydrochloric Acid SCHEMBL74122 0.93 FLT3 (0.99) FLT3KDRCSF1RRETPDGFRB
SCHEMBL1759073 0.92 FLT3 (0.87) FLT3KDRCSF1RRETPDGFRB
Quizartinib SCHEMBL72923 0.89 FLT3 (1.00) FLT3KDRCSF1RRETPDGFRB
Quizartinib SCHEMBL29349937 0.89 FLT3 (1.00) FLT3KDRCSF1RRETPDGFRB
Quizartinib SCHEMBL74121 0.88 FLT3 (1.00) FLT3KDRCSF1RRETPDGFRB
Quizartinib SCHEMBL742377 0.88 FLT3 (1.00) FLT3KDRCSF1RRETPDGFRB
Quizartinib SCHEMBL29435035 0.88 FLT3 (1.00) FLT3KDRCSF1RRETPDGFRB

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