SCHEMBL11006136

SCHEMBL11006136

C=CC(C)Sc1ccc(-c2nc3ncncc3[nH]2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
PDE5A O76074 8/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AURKA O14965 1/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
ENPP1 P22413 1/20 0.36
NPY5R Q15761 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 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
SCHEMBL11007929 0.83 ENPP1 (0.44) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11233387 0.83 PDE2A (0.48) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11009401 0.83 ENPP1 (0.43) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11005197 0.80 ENPP1 (0.42) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11012000 0.78 PDE2A (0.42) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11237402 0.77 PDE2A (0.67) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11010105 0.77 ENPP1 (0.43) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11010877 0.77 PDE2A (0.47) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL11012360 0.76 PDE2A (0.52) PDE2APDE5APDE3BPDE3AKDM4E
SCHEMBL10762718 0.76 PDE2A (0.50) PDE2APDE5APDE3BPDE3AKDM4E

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-0142075-A2 Purine derivatives, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-05-22 EP disclosed