SCHEMBL2432693

SCHEMBL2432693

CC(C)(NC(=O)Oc1cc2c(NC(=O)c3ccc(N4CCOCC4)cc3)n[nH]c2s1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.46
AURKA O14965 5/20 0.46
KDR P35968 1/20 0.45
FGFR1 P11362 1/20 0.45
NTRK1 P04629 3/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KIT P10721 3/20 0.42
FLT3 P36888 2/20 0.42
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALK Q9UM73 1/20 0.41
BTK Q06187 1/20 0.40

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
SCHEMBL2431925 0.93 KIT (0.47) LRRK2AURKAKDRFGFR1NTRK1
SCHEMBL2431946 0.92 AURKA (0.55) AURKAKDRFGFR1NTRK1ABL1
SCHEMBL2437177 0.89 RAB9A (0.49) AURKAABL1BCRMAPTLMNA
SCHEMBL2432386 0.89 AURKA (0.47) LRRK2AURKAKDRFGFR1NTRK1
SCHEMBL740120 0.88 AURKA (0.55) LRRK2AURKAKDRFGFR1NTRK1
SCHEMBL2434516 0.85 KIT (0.56) AURKAKDRFGFR1NTRK1ABL1
SCHEMBL4632688 0.84 AURKA (0.51) LRRK2AURKAKDRFGFR1NTRK1
SCHEMBL2435084 0.83 ABL1 (0.53) KDRABL1BCR
SCHEMBL2434466 0.83 AURKA (0.48) AURKAKDRFGFR1NTRK1NTRK3
SCHEMBL2439030 0.82 RAB9A (0.46) ABL1BCRLMNAKITFLT3

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