SCHEMBL9848406

SCHEMBL9848406

NCC(NC(=O)c1ccccn1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.61
RPS6KA5 O75582 2/20 0.61
GSK3B P49841 2/20 0.61
NEK4 P51957 2/20 0.61
PRKCD Q05655 2/20 0.61
PRKG2 Q13237 2/20 0.61
ROCK1 Q13464 2/20 0.61
PRKG1 Q13976 2/20 0.61
PKN2 Q16513 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61
MAPK13 O15264 1/20 0.61
DYRK3 O43781 1/20 0.61
ROCK2 O75116 1/20 0.61
PRKD3 O94806 1/20 0.61
MAP4K4 O95819 1/20 0.61
CHEK2 O96017 1/20 0.61
PRKCG P05129 1/20 0.61
CDK1 P06493 1/20 0.61
PIM1 P11309 1/20 0.61
RPS6KB1 P23443 1/20 0.61

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
SCHEMBL4942910 0.85 CTSA (0.60) EPHX2KDM4ELMNAOPRK1HTT
SCHEMBL6188521 0.81 TACR3 (0.53) ROCK1ROCK2EPHX2KDM4ELMNA
SCHEMBL8861463 0.81 EPHX2 (0.50) EPHX2KDM4ELMNAOPRK1HTT
SCHEMBL28928009 0.80 HTT (0.60) EPHX2KDM4ELMNAOPRK1HTT
SCHEMBL9848486 0.78 RPS6KA5 (0.71) AKT1RPS6KA5GSK3BNEK4PRKCD
SCHEMBL14261926 0.77 CTSA (0.64)
SCHEMBL8924030 0.77 LMNA (0.54) EPHX2KDM4ELMNAOPRK1HTT
SCHEMBL3105352 0.76 ROCK2 (1.00) AKT1RPS6KA5GSK3BNEK4PRKCD
SCHEMBL3112038 0.76 ROCK2 (1.00) AKT1RPS6KA5GSK3BNEK4PRKCD
SCHEMBL3109328 0.76 ROCK2 (1.00) AKT1RPS6KA5GSK3BNEK4PRKCD

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
EP-0432442-A1 ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-19 EP disclosed