SCHEMBL2431020

SCHEMBL2431020

CC(C)(NC(=O)Oc1cc2c(NC(=O)c3ccc(CN4CCCC4)cc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.60
BCR P11274 2/20 0.60
AURKA O14965 1/20 0.44
ACKR3 P25106 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
CYP2C9 P11712 1/20 0.42
FLT3 P36888 3/20 0.42
KIT P10721 2/20 0.42
KDR P35968 2/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
FLT1 P17948 1/20 0.39
HSD17B10 Q99714 3/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2439137 0.99 ABL1 (0.61) ABL1BCRAURKAACKR3HRH3
SCHEMBL2433994 0.99 ABL1 (0.61) ABL1BCRAURKAACKR3HRH3
SCHEMBL2431903 0.98 ABL1 (0.58) ABL1BCRAURKAACKR3HRH3
SCHEMBL2433100 0.93 ABL1 (0.52) ABL1BCRAURKAACKR3FLT3
SCHEMBL2435084 0.92 ABL1 (0.53) ABL1BCRACKR3HRH3CYP2C9
SCHEMBL2434312 0.92 ABL1 (0.51) ABL1BCRAURKAACKR3HRH3
SCHEMBL2434904 0.91 ABL1 (0.52) ABL1BCRAURKAACKR3HRH3
SCHEMBL2432671 0.89 ABL1 (0.51) ABL1BCRAURKAHRH3CYP2C9
SCHEMBL742638 0.88 ABL1 (0.74) ABL1BCRAURKAACKR3HRH3
SCHEMBL2432351 0.88 ABL1 (0.48) ABL1BCRAURKAACKR3HRH3

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