SCHEMBL2438142

SCHEMBL2438142

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4sc(OC(=O)NC(C)(C)c5ccccc5F)cc34)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.53
KIT P10721 5/20 0.49
FLT3 P36888 5/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
NTRK1 P04629 2/20 0.48
FGFR1 P11362 2/20 0.47
INSR P06213 1/20 0.46
IGF1R P08069 1/20 0.46
AURKB Q96GD4 1/20 0.46
ALK Q9UM73 1/20 0.46
KDR P35968 1/20 0.45

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
SCHEMBL2432386 0.93 AURKA (0.47) AURKAKITFLT3ABL1BCR
SCHEMBL742121 0.89 AURKA (0.62) AURKAKITFLT3ABL1BCR
SCHEMBL2431946 0.89 AURKA (0.55) AURKAKITFLT3ABL1BCR
SCHEMBL2434516 0.87 KIT (0.56) AURKAKITFLT3ABL1BCR
SCHEMBL2433174 0.87 KIT (0.48) AURKAKITFLT3NTRK1
SCHEMBL15362116 0.87 IGF1R (0.49) AURKAKITFLT3ABL1BCR
SCHEMBL2437160 0.85 AURKA (0.55) AURKAKITFLT3ABL1BCR
SCHEMBL15362156 0.85 ALK (0.46) AURKAKITFLT3ABL1NTRK1
SCHEMBL15362150 0.85 ALK (0.43) AURKAKITFLT3ABL1NTRK1
SCHEMBL2432351 0.84 ABL1 (0.48) AURKAKITFLT3ABL1BCR

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