SCHEMBL4083473

SCHEMBL4083473

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(OC(F)(F)F)cc3)c2o1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.47
AURKA O14965 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
TRPV1 Q8NER1 2/20 0.42
MTOR P42345 1/20 0.42
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.40
FLT3 P36888 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
GSK3B P49841 1/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL4082917 0.90 AURKA (0.48) AURKAHDAC6FLT3NPC1RAB9A
SCHEMBL4091567 0.90 AURKA (0.48) AURKAFLT3NPC1RAB9AABL1
SCHEMBL4088217 0.89 AURKA (0.51) AURKAHDAC6MAPK1ABL1BCR
SCHEMBL4088609 0.88 AURKA (0.49) AURKAHDAC6FLT3NPC1RAB9A
SCHEMBL4092679 0.86 AURKA (0.49) AURKAHDAC6FLT3NPC1RAB9A
SCHEMBL4082126 0.85 HDAC6 (0.48) HDAC6TRPV1MTORCTNNB1TCF7L2
SCHEMBL4085444 0.84 AURKA (0.47) AURKAHDAC6CTNNB1TCF7L2FLT3
SCHEMBL4088617 0.83 CDK7 (0.46) AURKAHDAC6FLT3NPC1RAB9A
SCHEMBL4082950 0.83 AURKA (0.44) AURKAFLT3MAPK8NPC1RAB9A
SCHEMBL4081942 0.83 KIT (0.54) AURKAFLT3ABL1BCRGSK3B

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-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed