SCHEMBL4086452

SCHEMBL4086452

O=C(Nc1n[nH]c2cc(C(=O)NC3(c4ccccc4)CC3)oc12)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
DYRK1A Q13627 3/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
TTK P33981 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 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
SCHEMBL4083945 0.96 MAPK1 (0.45) MAPK1DYRK1AGAAPKMAPOBEC3G
SCHEMBL4088806 0.84 HSD17B13 (0.42) MAPK1DYRK1ARAB9AKDM4ENPC1
SCHEMBL653285 0.84 DYRK1A (0.41) MAPK1DYRK1AGAARAB9ANPC1
SCHEMBL4088328 0.84 MAPK1 (0.41) MAPK1DYRK1APKMRAB9AKDM4E
SCHEMBL4086303 0.82 MAPK1 (0.49) MAPK1GAAPKMAPOBEC3GRAB9A
SCHEMBL652665 0.81 MEN1 (0.40) DYRK1AGAARAB9AKDM4ENPC1
SCHEMBL4092150 0.80 SMN1; SMN2 (0.40) MAPK1DYRK1APKMRAB9AKDM4E
SCHEMBL4088568 0.80 CDK2 (0.40) DYRK1ARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL4078233 0.79 AURKA (0.54)
SCHEMBL742870 0.79 MAPK1 (0.43) MAPK1DYRK1AGAAPKMAPOBEC3G

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