SCHEMBL4091567

SCHEMBL4091567

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2o1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
FLT3 P36888 10/20 0.46
KIT P10721 7/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
NR1H4 Q96RI1 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
GRM5 P41594 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 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 0.93 AURKA (0.48) AURKAFLT3NPC1RAB9AABL1
SCHEMBL4088217 0.91 AURKA (0.51) AURKAABL1BCRFGFR1FGFR2
SCHEMBL4083473 0.90 PDE2A (0.47) AURKAFLT3NPC1RAB9AABL1
SCHEMBL4088609 0.89 AURKA (0.49) AURKAFLT3NPC1RAB9AABL1
SCHEMBL4092679 0.89 AURKA (0.49) AURKAFLT3NPC1RAB9AABL1
SCHEMBL4088617 0.87 CDK7 (0.46) AURKAFLT3NPC1RAB9AROCK2
SCHEMBL4085444 0.86 AURKA (0.47) AURKAFLT3NPC1RAB9AABL1
SCHEMBL4081022 0.85 FLT3 (0.50) FLT3KITNPC1RAB9AATM
SCHEMBL4081942 0.85 KIT (0.54) AURKAFLT3KITABL1BCR
SCHEMBL4078750 0.84 AURKA (0.45) AURKAABL1BCRFGFR1FGFR2

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