SCHEMBL4849645

SCHEMBL4849645

O=c1[nH]c2cccnc2[nH]1.O=c1[nH]c2cncnc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
PIM1 P11309 3/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
RET P07949 2/20 0.43
KDR P35968 2/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
RPS6KA3 P51812 2/20 0.43
CDK5 Q00535 2/20 0.43
MAP4K2 Q12851 2/20 0.43
AURKB Q96GD4 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
CDK1 P06493 1/20 0.43
LYN P07948 1/20 0.43
FER P16591 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL310841 0.86 TYRO3 (0.50) PDE3BPDE3APIM1PRKD3MAP4K4
SCHEMBL29480586 0.86 PRKD3 (0.49) PDE3BPDE3APIM1PRKD3MAP4K4
SCHEMBL340944 0.86 PRKD3 (0.49) PDE3BPDE3APIM1PRKD3MAP4K4
SCHEMBL29388621 0.86 TYRO3 (0.50) PDE3BPDE3APIM1PRKD3MAP4K4
Hydrochloric Acid SCHEMBL29487293 0.84 TYRO3 (0.48) PDE3BPDE3APIM1PRKD3MAP4K4
Hydrochloric Acid SCHEMBL30594385 0.84 PRKD3 (0.47) PDE3BPDE3APIM1PRKD3MAP4K4
Hydrochloric Acid SCHEMBL30775701 0.84 PRKD3 (0.47) PDE3BPDE3APIM1PRKD3MAP4K4
SCHEMBL2121736 0.80 PRKD3 (0.44) PDE3BPDE3APIM1PRKD3MAP4K4
Biphenyl SCHEMBL28782742 0.78 GSK3A (0.63) PDE3BPDE3APIM1PRKD3MAP4K4
SCHEMBL360425 0.71 PARP1 (0.55) PDE3BPDE3AAURKAPARP1KDM4E

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
WO-2008075007-A1 MORPHOLINO-SUBSTITUTED BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS ANTI CANCER AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO disclosed