SCHEMBL14282926

SCHEMBL14282926

Nc1cc(-c2ccnc(-c3cnc(N4CCCCC4)nc3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
FEN1 P39748 1/20 0.39
PRKD1 Q15139 2/20 0.39
PRKD2 Q9BZL6 2/20 0.39
PRKD3 O94806 1/20 0.39
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 2/20 0.38
MYLK4 Q86YV6 2/20 0.36
STK17A Q9UEE5 2/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
MAPKAPK2 P49137 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL14283774 0.90 PIK3CA (0.41) MAPTFEN1PRKD1PRKD2MYLK4
SCHEMBL3614067 0.87 PRKD1 (0.48) MAPTPRKD1PRKD2PRKD3ROCK2
SCHEMBL14283769 0.87 CNR2 (0.45) PRKD1PRKD2PRKD3MYLK4STK17A
SCHEMBL3621763 0.86 PRKD1 (0.46) MAPTFEN1PRKD1PRKD2PRKD3
SCHEMBL13442018 0.85 MAPT (0.38) MAPTFEN1PRKD1PRKD2PRKD3
SCHEMBL13442301 0.85 MAPT (0.38) MAPTFEN1PRKD1PRKD2PRKD3
SCHEMBL13408197 0.85 PIM1 (0.42) MAPTPRKD1PRKD2PRKD3ROCK2
SCHEMBL13408193 0.85 PIM1 (0.42) MAPTPRKD1PRKD2PRKD3ROCK2
SCHEMBL13408196 0.84 PIM1 (0.43) MAPTFEN1PRKD1PRKD2ROCK2
SCHEMBL14283150 0.83 CDC7 (0.36) MAPTPRKD1PRKD2PRKD3ROCK2

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-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO disclosed