Sugi Predict

Sugi Predict / Compounds / SCHEMBL1908337

SCHEMBL1908337

SCHEMBL1908337

NC1(c2ccc(-c3oc4ncc(-c5cccc(NC(=O)CNC6(c7ccc(-c8oc9ncc(-c%10cccnc%10)nc9c8-c8ccccc8)cc7)CCC6)c5)nc4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 14/20 0.39
▸ AKT2 P31751 5/20 0.38
▸ CYP2C8 P10632 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ AKT3 Q9Y243 2/20 0.38
▸ JAK3 P52333 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ JAK2 O60674 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
SCHEMBL1908335 0.88 AKT1 (0.48) AKT1AKT2CYP2C8CYP2D6CYP2C9
SCHEMBL1902022 0.84 AKT1 (0.49) AKT1AKT2CYP2C8CYP2D6CYP2C9
SCHEMBL1900959 0.82 AKT1 (0.52) AKT1AKT2CYP2D6CYP2C9AKT3
SCHEMBL1900984 0.79 AKT1 (0.40) AKT1AKT2MAPK1
SCHEMBL1903012 0.78 AKT1 (0.51) AKT1AKT2
SCHEMBL1905644 0.76 AKT1 (0.51) AKT1AKT2
SCHEMBL1904321 0.75 AKT1 (0.47) AKT1AKT2
SCHEMBL1902768 0.74 NPC1 (0.42) AKT1AKT2CYP2C8CYP2D6CYP2C9
SCHEMBL14119116 0.74 AKT1 (0.42) AKT1AKT2
SCHEMBL1906320 0.74 ATR (0.41) AKT1AKT2

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-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 — — EP claimed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 — — WO claimed