SCHEMBL2449219

SCHEMBL2449219

NC(N)=Nc1ccc(-c2cnco2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
PKM P14618 2/20 0.55
NOTUM Q6P988 1/20 0.55
GAA P10253 1/20 0.55
PTK2 Q05397 1/20 0.53
POLB P06746 1/20 0.50
KEAP1 Q14145 1/20 0.50
PLG P00747 1/20 0.47
LTA4H P09960 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAP4K4 O95819 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL10768177 0.80 PKM (0.78) LMNAPKMNOTUMGAAPTK2
SCHEMBL13667800 0.78 PKM (0.58) LMNAPKMNOTUMGAAPTK2
SCHEMBL1010203 0.75 MYC (0.62) LMNAPKMNOTUMGAAPTK2
SCHEMBL4263728 0.75 PKM (0.64) LMNAPKMNOTUMGAAPTK2
SCHEMBL1160951 0.75 PKM (0.64) LMNAPKMNOTUMGAAPTK2
SCHEMBL1738380 0.73 POLB (0.82) POLBPLGCYP2D6CA12CA1
SCHEMBL7995967 0.73 PKM (0.62) LMNAPKMNOTUMGAAPTK2
SCHEMBL6170243 0.71 IMPDH2 (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2449213 0.71 KMT2A (0.58) LMNAPKMNOTUMGAAPTK2
SCHEMBL13913454 0.71 PKM (0.50) LMNAPKMNOTUMGAAPTK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed