SCHEMBL2432671

SCHEMBL2432671

CC(C)(NC(=O)Oc1cc2c(NC(=O)c3ccc(CN4CCCCC4)cc3)n[nH]c2s1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
HRH3 Q9Y5N1 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDR P35968 2/20 0.39
FLT3 P36888 2/20 0.38
KIT P10721 1/20 0.38
TNF P01375 1/20 0.38
DYRK1A Q13627 3/20 0.37
WNT1 P04628 1/20 0.37
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL2432351 0.98 ABL1 (0.48) ABL1BCRHRH3CYP2C9KDR
SCHEMBL2434843 0.93 ABL1 (0.43) ABL1BCRFLT3KITHIF1A
SCHEMBL739473 0.90 ABL1 (0.61) ABL1BCRHRH3CYP2C9KDR
SCHEMBL741946 0.90 ABL1 (0.61) ABL1BCRHRH3CYP2C9KDR
SCHEMBL2439137 0.90 ABL1 (0.61) ABL1BCRHRH3CYP2C9KDR
SCHEMBL2433994 0.90 ABL1 (0.61) ABL1BCRHRH3CYP2C9KDR
SCHEMBL2435084 0.89 ABL1 (0.53) ABL1BCRHRH3CYP2C9KDR
SCHEMBL742153 0.89 ABL1 (0.60) ABL1BCRHRH3CYP2C9KDR
SCHEMBL2431020 0.89 ABL1 (0.60) ABL1BCRHRH3CYP2C9KDR
SCHEMBL2434904 0.88 ABL1 (0.52) ABL1BCRHRH3CYP2C9KDR

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