SCHEMBL3129177

SCHEMBL3129177

C[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(N3CCNCC3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
ADRB1 P08588 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MITF O75030 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37

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
Hydrochloric Acid SCHEMBL2517408 0.96 POLB (0.39) POLBMAPTALDH1A1PTPN2PTPN1
Hydrochloric Acid SCHEMBL2517411 0.96 POLB (0.39) POLBMAPTALDH1A1PTPN2PTPN1
SCHEMBL16488549 0.91 POLB (0.43) POLBMAPTALDH1A1PTPN2PTPN1
SCHEMBL16488553 0.91 POLB (0.43) POLBMAPTALDH1A1PTPN2PTPN1
SCHEMBL3941559 0.88 PDGFRB (0.42) POLBMAPTALDH1A1PTPN2PTPN1
SCHEMBL3117718 0.87 POLB (0.41) POLBMAPTALDH1A1PTPN2PTPN1
SCHEMBL3401556 0.87 POLB (0.41) POLBMAPTALDH1A1PTPN2PTPN1
SCHEMBL3433299 0.87 POLB (0.41) POLBMAPTALDH1A1PTPN2PTPN1
SCHEMBL30024441 0.85 POLB (0.43) POLBMAPTALDH1A1PTPN2PTPN1
SCHEMBL192756 0.84 ALDH1A1 (0.52) POLBMAPTALDH1A1PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170863-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-04-07 EP disclosed
EP-2049500-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-04-22 EP disclosed
WO-2009006567-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-01-08 WO disclosed
WO-2008006032-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed