SCHEMBL22493045

SCHEMBL22493045

NC(=O)c1ccc(F)cc1F.NC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 17/20 0.65
AKT1 P31749 9/20 0.57
ROCK2 O75116 7/20 0.57
AKT3 Q9Y243 6/20 0.57
KCNH2 Q12809 3/20 0.57
CYP2C9 P11712 1/20 0.51
PRKACA P17612 1/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
LIMK1 P53667 1/20 0.51
LIMK2 P53671 1/20 0.51

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
SCHEMBL22493040 0.91 AKT2 (0.66) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493044 0.87 AKT2 (0.67) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL2780797 0.85 AKT2 (0.67) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493043 0.83 AKT2 (0.65) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493037 0.81 AKT2 (0.64) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493038 0.79 AKT2 (0.68) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL1003253 0.79 AKT2 (1.00) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493035 0.79 AKT2 (0.66) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL22493036 0.79 AKT2 (0.68) AKT2AKT1ROCK2AKT3KCNH2
SCHEMBL19587013 0.78 AKT2 (0.65) AKT2AKT1ROCK2AKT3KCNH2

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-3719018-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2025-08-27 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed