SCHEMBL2434523

SCHEMBL2434523

CC(C)(NC(=O)Oc1cc2c(NC(=O)c3ccc(CNC4CCCC4)cc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
HDAC1 Q13547 3/20 0.42
AURKA O14965 3/20 0.40
CTNNB1 P35222 2/20 0.36
TCF7L2 Q9NQB0 2/20 0.36
PRKD1 Q15139 1/20 0.36
FLT3 P36888 3/20 0.35
ACKR3 P25106 1/20 0.35
KIT P10721 2/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL2436119 0.98 ABL1 (0.43) ABL1BCRHDAC1AURKACTNNB1
SCHEMBL2434540 0.97 ABL1 (0.42) ABL1BCRHDAC1AURKACTNNB1
SCHEMBL741142 0.88 ABL1 (0.53) ABL1BCRHDAC1AURKACTNNB1
SCHEMBL2467029 0.88 ABL1 (0.43) ABL1BCRHDAC1AURKACTNNB1
SCHEMBL741580 0.87 ABL1 (0.53) ABL1BCRHDAC1AURKACTNNB1
SCHEMBL2432388 0.86 FLT3 (0.47) ABL1BCRHDAC1AURKAFLT3
SCHEMBL4632620 0.85 HDAC1 (0.43) HDAC1AURKACTNNB1TCF7L2PRKD1
SCHEMBL2438137 0.85 AURKA (0.45) ABL1BCRAURKAFLT3ROCK2
SCHEMBL739415 0.85 ABL1 (0.53) ABL1BCRHDAC1AURKACTNNB1
SCHEMBL2431903 0.85 ABL1 (0.58) ABL1BCRHDAC1AURKAFLT3

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