SCHEMBL13899607

SCHEMBL13899607

Bc1nc(C)nc2cc(OC)c(OC)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.55
PDE4D Q08499 3/20 0.55
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
KRAS P01116 4/20 0.48
SOS1 Q07889 4/20 0.48
EGFR P00533 1/20 0.48
FBP1 P09467 1/20 0.47
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
SMARCA2 P51531 1/20 0.42
KMT2A Q03164 1/20 0.42
NQO2 P16083 1/20 0.42
KDM4E B2RXH2 2/20 0.41
WHR1 P49842 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL13899644 0.89 PDE4A (0.45) PDE4APDE4DPDE3BPDE3AKRAS
SCHEMBL372023 0.83 PDE4A (0.62) PDE4APDE4DPDE3BPDE3AKRAS
SCHEMBL13335780 0.82 PDE4A (0.57) PDE4APDE4DPDE3BPDE3AKRAS
SCHEMBL8140684 0.81 PDE4A (0.55) PDE4APDE4DPDE3BPDE3AKRAS
SCHEMBL372259 0.79 PDE4A (0.54) PDE4APDE4DPDE3BPDE3AKRAS
SCHEMBL3265628 0.79 POLB (0.61) PDE4APDE4DPOLBLMNAGLA
SCHEMBL20813455 0.79 PDE4A (0.54) PDE4APDE4DPDE3BPDE3AKRAS
SCHEMBL29723105 0.79 PDE4A (0.54) PDE4APDE4DPDE3BPDE3AKRAS
SCHEMBL28607756 0.78 PDE4A (0.53) PDE4APDE4DPDE3BPDE3AKRAS
SCHEMBL27866061 0.78 PDE4A (0.53) PDE4APDE4DPDE3BPDE3AKRAS

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-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 US disclosed