SCHEMBL2431925

SCHEMBL2431925

CC(C)(NC(=O)Oc1cc2c(NC(=O)c3ccc(N4CCOCC4)cc3)n[nH]c2s1)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.47
FLT3 P36888 2/20 0.47
AURKA O14965 5/20 0.46
LRRK2 Q5S007 2/20 0.44
ALK Q9UM73 2/20 0.43
FGFR1 P11362 2/20 0.43
KDR P35968 1/20 0.43
NTRK1 P04629 4/20 0.42
NTRK3 Q16288 2/20 0.42
NTRK2 Q16620 2/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
BTK Q06187 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
AURKB Q96GD4 1/20 0.39
DDR2 Q16832 1/20 0.39

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) KITFLT3AURKAALKFGFR1
SCHEMBL2432693 0.93 LRRK2 (0.46) KITFLT3AURKALRRK2ALK
SCHEMBL2439030 0.90 RAB9A (0.46) KITFLT3ALKABL1BCR
SCHEMBL741174 0.89 AURKA (0.54) KITFLT3AURKALRRK2ALK
SCHEMBL2432386 0.87 AURKA (0.47) KITFLT3AURKALRRK2FGFR1
SCHEMBL2431946 0.85 AURKA (0.55) KITFLT3AURKAALKFGFR1
SCHEMBL2434312 0.85 ABL1 (0.51) KITFLT3AURKAALKKDR
SCHEMBL2437160 0.84 AURKA (0.55) KITFLT3AURKAFGFR1KDR
SCHEMBL2434904 0.84 ABL1 (0.52) KITFLT3AURKAALKKDR
SCHEMBL2434466 0.84 AURKA (0.48) KITFLT3AURKAFGFR1KDR

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