SCHEMBL14748404

SCHEMBL14748404

N=NNCC12CCN(c3c4c(c(C(N)=O)c5nc6ccccc6n35)CCC4)CC1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
KDM4E B2RXH2 7/20 0.36
CASP1 P29466 4/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
CASP7 P55210 2/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
HIF1A Q16665 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14716232 0.88 PDE4B (0.54) PDE4BKDM4ECASP1TSHRMAPK1
SCHEMBL14728301 0.88 PDE4B (0.50) PDE4BKDM4ECASP1TSHRMAPK1
Hydrochloric Acid SCHEMBL14716009 0.87 PDE4B (0.53) PDE4BKDM4ECASP1TSHRMAPK1
Hydrochloric Acid SCHEMBL14716171 0.87 PDE4B (0.49) PDE4BKDM4ECASP1TSHRMAPK1
SCHEMBL14728293 0.83 PDE4B (0.46) PDE4BKDM4ECASP1TSHRMAPK1
SCHEMBL14728297 0.77 PDE4B (0.61) PDE4BKDM4ECASP1TSHRMAPK1
SCHEMBL14728302 0.76 PDE4B (0.59) PDE4BKDM4ECASP1TSHRMAPK1
SCHEMBL14716461 0.76 PDE4B (0.64) PDE4BKDM4ECASP1TSHRMAPK1
SCHEMBL14728315 0.75 PDE4B (0.69) PDE4BKDM4ECASP1TSHRMAPK1
Hydrochloric Acid SCHEMBL14716134 0.75 PDE4B (0.59) PDE4BKDM4ECASP1TSHRMAPK1

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