SCHEMBL14748490

SCHEMBL14748490

c1ccc(N2CCN(c3c4c(c([C@H]5CN5)c5nc6ccccc6n35)CCC4)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
ALOX12 P18054 1/20 0.48
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 8/20 0.45
TSHR P16473 6/20 0.45
CASP1 P29466 2/20 0.45
PKM P14618 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42

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
SCHEMBL14728385 0.78 MAPK1 (0.76) MAPK1ALOX12HIF1AKDM4ETSHR
SCHEMBL14748471 0.78 MAPK1 (0.38) MAPK1ALOX12HIF1AKDM4ETSHR
SCHEMBL14728371 0.72 MAPK1 (0.74) MAPK1ALOX12HIF1AKDM4ETSHR
SCHEMBL14748484 0.70 MAPK1 (0.37) MAPK1ALOX12HIF1AKDM4ETSHR
SCHEMBL14728219 0.68 MAPK1 (0.77) MAPK1ALOX12HIF1AKDM4ETSHR
SCHEMBL14748400 0.67 MAPT (0.33) KDM4EKMT2ANPSR1MAPTALDH1A1
SCHEMBL14728222 0.67 KDM4E (0.74) MAPK1ALOX12HIF1AKDM4ETSHR
SCHEMBL14728336 0.66 MAPK1 (0.69) MAPK1ALOX12HIF1AKDM4ETSHR
SCHEMBL14728398 0.66 PDE4B (0.51) MAPK1ALOX12HIF1AKDM4ETSHR
SCHEMBL14748488 0.66 MAPT (0.34) KDM4EKMT2AMEN1NPSR1MAPT

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-2565194-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed