SCHEMBL4088723

SCHEMBL4088723

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(CN4CCOCC4)o3)c2o1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.43
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 2/20 0.40
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
PRKD3 O94806 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
PRKD1 Q15139 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37

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
SCHEMBL4081465 0.90 ABL1 (0.54) AURKAABL1BCRHTTMAPK1
SCHEMBL4088215 0.86 HTT (0.57) AURKAHTTMAPK1SMN1; SMN2NPC1
SCHEMBL4092903 0.83 ABL1 (0.61) AURKAABL1BCRRAB9AALDH1A1
SCHEMBL4083868 0.83 ABL1 (0.59) AURKAABL1BCRRAB9AALDH1A1
SCHEMBL4081436 0.82 AURKA (0.57) AURKAABL1BCRHIF1AEPAS1
SCHEMBL4093502 0.82 ABL1 (0.63) AURKAABL1BCRRAB9AALDH1A1
SCHEMBL4081182 0.82 AURKA (0.61) AURKAABL1BCR
SCHEMBL4078785 0.81 AURKA (0.42) AURKAABL1BCRHTTMAPK1
SCHEMBL4088344 0.80 RAB9A (0.46) AURKAABL1BCRMAPK1SMN1; SMN2
SCHEMBL4088217 0.79 AURKA (0.51) AURKAABL1BCRHTTMAPK1

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