SCHEMBL4092674

SCHEMBL4092674

Cn1cnc(C(=O)Nc2n[nH]c3cc(C(=O)NC(C)(C)c4ccccc4)oc23)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
MAPK1 P28482 6/20 0.36
USP36 Q9P275 1/20 0.34
EGLN1 Q9GZT9 3/20 0.34
PHGDH O43175 1/20 0.34
ITK Q08881 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ANO1 Q5XXA6 1/20 0.33
IMPDH2 P12268 1/20 0.33

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
SCHEMBL4086360 0.86 MAPK1 (0.47) AURKAABL1BCRMAPK1USP36
SCHEMBL4083886 0.85 AURKA (0.44) AURKAABL1BCRMAPK1USP36
SCHEMBL4088217 0.84 AURKA (0.51) AURKAABL1BCRMAPK1USP36
SCHEMBL4088627 0.84 PRKCB (0.36) AURKAMAPK1GSK3BDYRK1A
SCHEMBL4083789 0.84 EGLN1 (0.42) AURKAABL1BCRMAPK1USP36
SCHEMBL4083114 0.83 AURKA (0.41) AURKAABL1BCRMAPK1USP36
SCHEMBL4093027 0.83 RAB9A (0.44) AURKA
SCHEMBL4078238 0.82 AURKA (0.43) AURKAABL1BCRMAPK1EGLN1
SCHEMBL4089328 0.82 AURKA (0.43) AURKAABL1BCRMAPK1EGLN1
SCHEMBL4082256 0.82 AURKA (0.44) AURKAABL1BCRMAPK1EGLN1

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