SCHEMBL3928264

SCHEMBL3928264

COc1ccc(C2(CN)CCN(c3ncnc4[nH]cnc34)CC2)cc1.NCC1(c2ccc(OCc3ccccc3)cc2)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 10/20 0.56
GSK3B P49841 4/20 0.56
AKT1 P31749 2/20 0.47
PRMT5 O14744 6/20 0.46
JAK3 P52333 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
EGFR P00533 1/20 0.42
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL1001701 0.90 AKT2 (0.68) AKT2GSK3BAKT1PRMT5JAK3
SCHEMBL1001819 0.89 AKT2 (0.50) AKT2GSK3BPRMT5EGFRTTBK1
SCHEMBL1001795 0.86 AKT2 (0.75) AKT2GSK3BAKT1JAK3JAK2
SCHEMBL1002967 0.85 AKT2 (0.54) AKT2GSK3BAKT1
SCHEMBL3922121 0.78 AKT2 (0.58) AKT2GSK3BAKT1JAK3JAK2
SCHEMBL12585890 0.78 AKT2 (0.71) AKT2GSK3BAKT1JAK3
SCHEMBL2782083 0.77 AKT2 (0.59) AKT2GSK3BAKT1
SCHEMBL12585899 0.77 AKT2 (0.52) AKT2GSK3BAKT1PRMT5
SCHEMBL19368681 0.75 AKT2 (0.80) AKT2GSK3BAKT1JAK3
SCHEMBL13540013 0.75 AKT2 (0.80) AKT2GSK3BAKT1JAK3

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-2037931-A2 PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS Astex Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2007125310-A2 PHARMACEUTICAL COMBINATIONS OF PK INHIBITORS AND OTHER ACTIVE AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO disclosed