SCHEMBL13845784

SCHEMBL13845784

Nc1ncnc2[nH]c(Sc3ccc(O)c(O)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.47
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
HSP90AA1 P07900 2/20 0.36
ERBB2 P04626 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PI4KA P42356 2/20 0.34
PI4K2B Q8TCG2 2/20 0.34
PI4K2A Q9BTU6 2/20 0.34
PI4KB Q9UBF8 2/20 0.34
NUDT1 P36639 1/20 0.33
MAP4K4 O95819 1/20 0.32
HSP90B1 P14625 1/20 0.31
APEX1 P27695 1/20 0.30

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
SCHEMBL16487153 0.81 LMNA (0.49) LMNATSHRHSP90AA1ERBB2HSP90AB1
SCHEMBL3116678 0.78 LMNA (0.68) LMNATSHRHSP90AA1ERBB2HSP90AB1
SCHEMBL5132695 0.78 LMNA (0.48) LMNATSHRPI4KAPI4K2BPI4K2A
SCHEMBL3115737 0.76 PIK3CD (0.44) PIK3CGLMNATSHRHSP90AA1ERBB2
SCHEMBL17781994 0.76 PTGIR (0.41) PIK3CGLMNATSHRHSP90AA1ERBB2
SCHEMBL13079975 0.76 GAA (0.41) TSHRHSP90AA1ERBB2HSP90AB1MAP4K4
SCHEMBL13845726 0.76 HSP90AA1 (0.38) PIK3CGLMNATSHRHSP90AA1ERBB2
SCHEMBL16487211 0.75 HSP90B1 (0.44) LMNATSHRHSP90AA1ERBB2HSP90AB1
SCHEMBL16487138 0.75 LMNA (0.46) LMNATSHRHSP90AA1ERBB2HSP90AB1
SCHEMBL16486508 0.75 LMNA (0.49) LMNATSHRHSP90AA1ERBB2HSP90AB1

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
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed