SCHEMBL4080830

SCHEMBL4080830

Cc1ccoc1C(=O)Nc1n[nH]c2cc(C(=O)NC(C)(C)c3ccccc3)oc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 2/20 0.36
GRM1 Q13255 10/20 0.35
KDR P35968 1/20 0.35
GRM4 Q14833 5/20 0.35
IMPDH2 P12268 1/20 0.34

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
SCHEMBL4083487 0.87 SMN1; SMN2 (0.41) AURKAMEN1NPC1RAB9AKMT2A
SCHEMBL4088406 0.86 ALDH1A1 (0.47) AURKAMEN1NPC1RAB9AKMT2A
SCHEMBL4088217 0.85 AURKA (0.51) AURKAMAPK1IMPDH2
SCHEMBL4078785 0.84 AURKA (0.42) AURKAMEN1NPC1RAB9AKMT2A
SCHEMBL4083278 0.83 AURKA (0.42) AURKAMEN1NPC1RAB9AKMT2A
SCHEMBL4082057 0.83 KMT2A (0.44) AURKAMEN1NPC1RAB9AKMT2A
SCHEMBL4093027 0.82 RAB9A (0.44) AURKANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4078482 0.82 HPGD (0.46) AURKAMEN1NPC1RAB9AKMT2A
SCHEMBL4078750 0.82 AURKA (0.45) AURKAMAPK1IMPDH2
SCHEMBL4088880 0.82 AURKA (0.45) AURKAMEN1NPC1RAB9AKMT2A

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