SCHEMBL4083886

SCHEMBL4083886

Cn1ccc(C(=O)Nc2n[nH]c3cc(C(=O)NC(C)(C)c4ccccc4)oc23)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
ROCK1 Q13464 1/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 3/20 0.35
USP36 Q9P275 1/20 0.35

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
SCHEMBL650566 0.94 AURKA (0.40) AURKAEGLN1ABL1BCRROCK1
SCHEMBL4086360 0.85 MAPK1 (0.47) AURKAEGLN1ABL1BCRNPC1
SCHEMBL4092674 0.85 AURKA (0.43) AURKAEGLN1ABL1BCRMAPK1
SCHEMBL4088217 0.85 AURKA (0.51) AURKAABL1BCRROCK1MAPK1
SCHEMBL4081173 0.84 RAB9A (0.42) ROCK1NPC1RAB9APKMSMN1; SMN2
SCHEMBL4078547 0.84 AURKA (0.46) AURKAEGLN1ABL1BCRNPC1
SCHEMBL4093027 0.83 RAB9A (0.44) AURKANPC1RAB9ASMN1; SMN2TP53
SCHEMBL4083114 0.83 AURKA (0.41) AURKAABL1BCRNPC1RAB9A
SCHEMBL4078238 0.83 AURKA (0.43) AURKAEGLN1ABL1BCRSMN1; SMN2
SCHEMBL4089328 0.83 AURKA (0.43) AURKAEGLN1ABL1BCRROCK1

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