SCHEMBL4870532

SCHEMBL4870532

Cc1n[nH]c(C)c1-c1cnc2nc(NNc3nc(N4CCOCC4)c4nc(-c5cnn(CC6OCCO6)c5)cnc4n3)nc(N3CCOCC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.37
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
LRRK2 Q5S007 3/20 0.33
MAPK1 P28482 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 2/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PIK3CD O00329 1/20 0.32
PIKFYVE Q9Y2I7 1/20 0.31

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
SCHEMBL4870538 0.90 NOS1 (0.49) NOS1IKBKETBK1LRRK2MET
SCHEMBL3765188 0.78 NOS1 (0.60) NOS1IKBKETBK1LRRK2MAPK1
SCHEMBL3760468 0.73 NOS1 (0.60) NOS1LRRK2MAPK1PIK3CD
SCHEMBL3755618 0.66 NOS1 (0.62) NOS1LRRK2MAPK1PIK3CD
SCHEMBL3763426 0.65 NOS1 (0.61) NOS1LRRK2MAPK1PIM1PIM3
SCHEMBL3760285 0.64 NOS1 (0.59) NOS1LRRK2MAPK1
SCHEMBL3757137 0.63 IKBKE (0.46) NOS1IKBKETBK1MET
SCHEMBL3765490 0.63 NOS1 (0.70) NOS1LRRK2PIM1PIK3CD
SCHEMBL3762264 0.62 NOS1 (0.71) NOS1MAPK1
SCHEMBL3761910 0.60 NOS1 (0.56) NOS1PIK3CD

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-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed