SCHEMBL2467029

SCHEMBL2467029

CC(C)NCc1ccc(C(=O)Nc2n[nH]c3sc(OC(=O)NC(C)(C)c4ccccc4)cc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
AURKA O14965 4/20 0.40
PRKD1 Q15139 1/20 0.36
FLT3 P36888 4/20 0.36
KIT P10721 3/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
CTNNB1 P35222 2/20 0.33
TCF7L2 Q9NQB0 2/20 0.33

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
SCHEMBL2438137 0.88 AURKA (0.45) ABL1BCRAURKAFLT3HDAC6
SCHEMBL2432182 0.88 AURKA (0.41) ABL1BCRAURKAFLT3KIT
SCHEMBL741133 0.88 ABL1 (0.54) ABL1BCRAURKAPRKD1FLT3
SCHEMBL2436119 0.88 ABL1 (0.43) ABL1BCRAURKAPRKD1FLT3
SCHEMBL2434523 0.88 ABL1 (0.43) ABL1BCRAURKAPRKD1FLT3
SCHEMBL2434540 0.87 ABL1 (0.42) ABL1BCRAURKAPRKD1FLT3
SCHEMBL2432388 0.87 FLT3 (0.47) ABL1BCRAURKAFLT3KIT
SCHEMBL2431903 0.86 ABL1 (0.58) ABL1BCRAURKAFLT3KIT
SCHEMBL2431020 0.86 ABL1 (0.60) ABL1BCRAURKAFLT3KIT
SCHEMBL2439137 0.85 ABL1 (0.61) ABL1BCRAURKAFLT3KIT

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
EP-2007380-B1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-09-14 EP claimed