SCHEMBL2431946

SCHEMBL2431946

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4sc(OC(=O)NC(C)(C)c5ccc(F)cc5)cc34)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.55
NTRK1 P04629 3/20 0.52
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
KIT P10721 6/20 0.51
FLT3 P36888 3/20 0.51
IGF1R P08069 2/20 0.50
INSR P06213 1/20 0.50
AURKB Q96GD4 1/20 0.50
ALK Q9UM73 1/20 0.50
FGFR1 P11362 5/20 0.47
KDR P35968 2/20 0.46
FGFR2 P21802 1/20 0.44

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
SCHEMBL2434516 0.93 KIT (0.56) AURKANTRK1ABL1BCRKIT
SCHEMBL2432693 0.92 LRRK2 (0.46) AURKANTRK1ABL1BCRKIT
SCHEMBL2437160 0.89 AURKA (0.55) AURKANTRK1ABL1BCRKIT
SCHEMBL2438142 0.89 AURKA (0.53) AURKANTRK1ABL1BCRKIT
SCHEMBL740888 0.88 AURKA (0.66) AURKANTRK1ABL1BCRKIT
SCHEMBL2431925 0.85 KIT (0.47) AURKANTRK1ABL1BCRKIT
SCHEMBL2437177 0.83 RAB9A (0.49) AURKAABL1BCRAURKB
SCHEMBL2435084 0.83 ABL1 (0.53) ABL1BCRKDR
SCHEMBL2432386 0.81 AURKA (0.47) AURKANTRK1ABL1BCRKIT
SCHEMBL740985 0.81 AURKA (0.77) AURKAABL1BCRKITFLT3

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