SCHEMBL14748484

SCHEMBL14748484

CC1(CN=O)CCN(c2c3c(c([C@H]4CCN4)c4nc5ccccc5n24)CCC3)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
ALOX12 P18054 1/20 0.37
HIF1A Q16665 2/20 0.36
PDE4B Q07343 1/20 0.36
KDM4E B2RXH2 4/20 0.36
CASP1 P29466 3/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
CASP7 P55210 1/20 0.36
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL14728620 0.70 KDM4E (0.62) MAPK1ALOX12HIF1AKDM4ECASP1
SCHEMBL14748490 0.70 MAPK1 (0.48) MAPK1ALOX12HIF1AKDM4ECASP1
SCHEMBL14716461 0.67 PDE4B (0.64) MAPK1ALOX12HIF1APDE4BKDM4E
SCHEMBL14728302 0.67 PDE4B (0.59) MAPK1ALOX12HIF1APDE4BKDM4E
Hydrochloric Acid SCHEMBL14716134 0.67 PDE4B (0.59) MAPK1ALOX12HIF1APDE4BKDM4E
SCHEMBL14728691 0.67 PDE4B (0.59) MAPK1ALOX12HIF1APDE4BKDM4E
Hydrochloric Acid SCHEMBL14735254 0.67 PDE4B (0.59) MAPK1ALOX12HIF1APDE4BKDM4E
SCHEMBL14728444 0.66 KDM4E (0.67) MAPK1ALOX12HIF1AKDM4ECASP1
SCHEMBL14728678 0.66 MAPK1 (0.64) MAPK1ALOX12HIF1AKDM4ECASP1
SCHEMBL14728635 0.66 PDE4B (0.64) MAPK1ALOX12HIF1APDE4BKDM4E

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