SCHEMBL13899644

SCHEMBL13899644

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.45
PDE4D Q08499 3/20 0.45
NQO2 P16083 5/20 0.42
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KRAS P01116 4/20 0.40
SOS1 Q07889 4/20 0.40
EGFR P00533 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
FBP1 P09467 1/20 0.39
ATM Q13315 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13899607 0.89 PDE4A (0.55) PDE4APDE4DNQO2LMNAPOLB
SCHEMBL20511938 0.81 PDE4A (0.44) PDE4APDE4DNQO2MAPTNPC1
SCHEMBL26037134 0.78 KRAS (0.49) PDE4APDE4DLMNAKRASSOS1
SCHEMBL24792134 0.77 PDE4A (0.51) PDE4APDE4DNQO2MAPTNPC1
SCHEMBL30076060 0.74 NQO2 (0.41) PDE4APDE4DNQO2MAPTNPC1
SCHEMBL27248572 0.74 NQO2 (0.41) PDE4APDE4DNQO2MAPTNPC1
SCHEMBL27253863 0.74 DHFR (0.50) PDE4APDE4DMAPTLMNAPOLB
SCHEMBL23004817 0.74 PDE4A (0.44) PDE4APDE4DNQO2MAPTKRAS
SCHEMBL372023 0.73 PDE4A (0.62) PDE4APDE4DNQO2LMNAPOLB
SCHEMBL13335780 0.72 PDE4A (0.57) PDE4APDE4DNQO2NPC1LMNA

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