SCHEMBL14068434

SCHEMBL14068434

Cc1cncc(OC[C@@H](N)Cc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.55
PRKACA P17612 6/20 0.55
PIM1 P11309 3/20 0.55
RPS6KB1 P23443 3/20 0.55
AKT2 P31751 3/20 0.55
CSNK1D P48730 3/20 0.55
GSK3A P49840 3/20 0.55
GSK3B P49841 3/20 0.55
PRKCD Q05655 3/20 0.55
ROCK1 Q13464 3/20 0.55
CDC42BPA Q5VT25 3/20 0.55
CHUK O15111 2/20 0.55
ROCK2 O75116 2/20 0.55
DYRK1A Q13627 2/20 0.55
LTA4H P09960 1/20 0.54
PRKACG P22612 4/20 0.53
PRKACB P22694 4/20 0.53
DAPK3 O43293 2/20 0.53
RPS6KA5 O75582 2/20 0.53
RPS6KA4 O75676 2/20 0.53

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
SCHEMBL14068385 0.92 AKT1 (0.62) AKT1PRKACAPIM1RPS6KB1AKT2
SCHEMBL14004896 0.85 AKT1 (0.52) AKT1PRKACAPIM1RPS6KB1AKT2
SCHEMBL14068430 0.83 AKT1 (0.49) AKT1PRKACAPIM1RPS6KB1AKT2
SCHEMBL13535014 0.82 PDGFRB (0.49) MAPK1
Hydrochloric Acid SCHEMBL6835588 0.80 AKT1 (0.84) AKT1PRKACAPIM1RPS6KB1AKT2
SCHEMBL6853479 0.79 AKT1 (0.67) AKT1PRKACAPIM1RPS6KB1AKT2
SCHEMBL14030021 0.78 AKT1 (0.61) AKT1PRKACAPIM1RPS6KB1AKT2
SCHEMBL14030029 0.78 AKT1 (0.61) AKT1PRKACAPIM1RPS6KB1AKT2
SCHEMBL7258949 0.77 LTA4H (0.68) LTA4H
SCHEMBL14004889 0.76 AKT1 (0.59) AKT1PRKACAPIM1RPS6KB1AKT2

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-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 WO disclosed