SCHEMBL2739268

SCHEMBL2739268

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ TACR2 P21452 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ AKT2 P31751 2/20 0.36
▸ AKT3 Q9Y243 2/20 0.36
▸ ATF4 P18848 3/20 0.36
▸ GPR139 Q6DWJ6 2/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ GRM2 Q14416 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
SCHEMBL2739269 1.00 AKT1 (0.41) AKT1RPS6KB1AURKBINCENPTACR2
SCHEMBL2738777 0.89 TACR2 (0.47) AKT1TACR2KDM4EALDH1A1LMNA
SCHEMBL14295875 0.88 TACR2 (0.40) AKT1RPS6KB1AURKBINCENPTACR2
SCHEMBL12188583 0.88 TACR2 (0.40) AKT1RPS6KB1AURKBINCENPTACR2
SCHEMBL680753 0.86 TACR2 (0.39) AKT1RPS6KB1AURKBINCENPTACR2
SCHEMBL679673 0.86 TACR2 (0.39) AKT1RPS6KB1AURKBINCENPTACR2
SCHEMBL10258343 0.86 GRM2 (0.35) KDM4EALDH1A1POLBGRM2
SCHEMBL12292976 0.86 HTR2A (0.35) CYP2D6OPRK1GRM2
SCHEMBL2738928 0.84 MC4R (0.46) AKT1RPS6KB1AURKBINCENPKDM4E
SCHEMBL17424829 0.84 MC4R (0.46) AKT1RPS6KB1AURKBINCENPKDM4E

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 6 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-B1 Hydroxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-08-26 — — 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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