SCHEMBL2739260

SCHEMBL2739260

NC(=O)[C@@H](CN1CCC(O)CC1)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 4/20 0.38
▸ AKT2 P31751 3/20 0.38
▸ AKT3 Q9Y243 3/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ SFRP1 Q8N474 1/20 0.37
▸ PDE2A O00408 5/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ EPHX2 P34913 3/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ MCHR1 Q99705 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
SCHEMBL2738649 1.00 AKT1 (0.38) AKT1AKT2AKT3MAPK1SFRP1
SCHEMBL684421 0.89 AKT1 (0.40) AKT1AKT2AKT3MAPK1PDE2A
SCHEMBL12188343 0.89 AKT1 (0.40) AKT1AKT2AKT3MAPK1PDE2A
SCHEMBL680793 0.87 EPHX2 (0.41) AKT1AKT2AKT3MAPK1PDE2A
SCHEMBL681291 0.87 EPHX2 (0.41) AKT1AKT2AKT3MAPK1PDE2A
SCHEMBL2738567 0.85 MC4R (0.41) AKT1AKT2AKT3MAPK1PDE2A
SCHEMBL2738568 0.85 MC4R (0.41) AKT1AKT2AKT3MAPK1PDE2A
SCHEMBL17030316 0.84 PDE2A (0.35) PDE2AEPHX1KCNH2
SCHEMBL2739268 0.84 AKT1 (0.41) AKT1AKT2AKT3RPS6KB1AURKB
SCHEMBL10258343 0.84 GRM2 (0.35) —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2966065-A2 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-01-13 — — EP disclosed
EP-2402325-A2 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors Array Biopharma, Inc. (US) 2012-01-04 — — EP disclosed
EP-2399909-A1 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as akt protein kinase inhibitors Array Biopharma, Inc. (US) 2011-12-28 — — EP disclosed
EP-2049501-B1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-09-14 — — EP disclosed
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 — — WO disclosed
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