SCHEMBL8906629

SCHEMBL8906629

CCc1nc2ccc(C3=NNC(=O)CC3)cc2n1-c1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.39
PDE3B Q13370 10/20 0.39
PDE3A Q14432 10/20 0.39
PDE2A O00408 2/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 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
SCHEMBL8906651 0.95 GPR119 (0.38) GPR119PDE3BPDE3APDE2APDE1A
SCHEMBL8905548 0.94 GPR119 (0.37) GPR119PDE3BPDE3APDE2APDE1A
SCHEMBL8905734 0.83 GPR119 (0.42) GPR119PDE3BPDE3APDE2APDE1A
SCHEMBL8906188 0.82 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL8906411 0.82 GPR119 (0.38) GPR119MEN1KMT2APDE4APDE4B
SCHEMBL8905618 0.82 KDM4E (0.38) PDE3ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8905737 0.80 PDE4B (0.40) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8789934 0.78 AGTR1 (0.43)
SCHEMBL8906593 0.78 GPR119 (0.41) GPR119PDE3BPDE3APDE2APDE1A
SCHEMBL8905804 0.77 KDM4E (0.40) PDE3ASMN1; SMN2MEN1KMT2AMAPT

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
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed