SCHEMBL28258583

SCHEMBL28258583

OCc1nc(NCc2ccccc2)c2[nH]cnc2n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.78
PDE4B Q07343 1/20 0.78
PDE4C Q08493 1/20 0.78
PDE4D Q08499 1/20 0.78
CDK1 P06493 2/20 0.70
MAPK1 P28482 2/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
TSHR P16473 1/20 0.63
CDK2 P24941 1/20 0.63
TMIGD3 P0DMS9 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
STAT3 P40763 2/20 0.54
NUDT1 P36639 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 2/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL16146593 0.86 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL16147166 0.85 CDK1 (0.71) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL16145818 0.84 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL16146710 0.83 CDK1 (0.73) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL5997042 0.82 CDK1 (0.71) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL8009114 0.82 CDK1 (0.71) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL8014608 0.82 CDK1 (1.00) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL1216378 0.82 TMIGD3 (0.77) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL16146644 0.82 CDK1 (0.71) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL8010871 0.82 CDK1 (1.00) PDE4APDE4BPDE4CPDE4DCDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109122313-A A kind of culture medium and method for making wing calyx dendrobium nobile seed quickly breed seedling 广西壮族自治区中国科学院广西植物研究所 2019-01-04 CN disclosed
CN-109122312-A A kind of culture medium for making D. primulinum seed quickly breed seedling and method 广西壮族自治区中国科学院广西植物研究所 2019-01-04 CN disclosed