SCHEMBL8978408

SCHEMBL8978408

CCNc1ncn(CC2CCCCC2)c2nc(CC3CC3)nc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.40
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
CHRM3 P20309 1/20 0.34
CYP11B2 P19099 1/20 0.34
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 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
Hydrochloric Acid SCHEMBL7028961 0.99 YTHDC1 (0.39) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL1387933 0.83 YTHDC1 (0.41) YTHDC1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7027845 0.82 YTHDC1 (0.40) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL1388102 0.80 YTHDC1 (0.41) YTHDC1CYP11B2CCNB2CDK1CCNB1
SCHEMBL1388397 0.79 PDE10A (0.43) YTHDC1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7742137 0.79 YTHDC1 (0.40) YTHDC1CYP11B2CCNB2CDK1CCNB1
SCHEMBL1388327 0.78 MAPK13 (0.34) YTHDC1CYP11B2CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL7030283 0.78 PDE10A (0.42) YTHDC1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7028127 0.77 MAPK13 (0.33) YTHDC1CYP11B2CDK2MAPK13MAPK12
SCHEMBL1388108 0.70 PDE10A (0.41) PDE4APDE4BPDE4CPDE4DCHRM3

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-0705265-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY Euroceltique S.A. (LU) 1996-04-10 EP disclosed