SCHEMBL3433299

SCHEMBL3433299

CC1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(N3CCCCCN3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP1A2 P05177 1/20 0.34
AKT1 P31749 2/20 0.33
AKT2 P31751 2/20 0.33
AKT3 Q9Y243 2/20 0.33
LMNA P02545 2/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL16488549 0.89 POLB (0.43) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL16488553 0.89 POLB (0.43) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL3129177 0.87 POLB (0.42) POLBPTPN2PTPN1CHRM2CHRM4
Hydrochloric Acid SCHEMBL2517408 0.85 POLB (0.39) POLBPTPN2PTPN1CHRM2CHRM4
Hydrochloric Acid SCHEMBL2517411 0.85 POLB (0.39) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL3941559 0.81 PDGFRB (0.42) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL3433304 0.81 POLB (0.41) POLBPTPN2PTPN1CHRM2CHRM4
SCHEMBL3117718 0.80 POLB (0.41) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL3401556 0.80 POLB (0.41) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL30024441 0.80 POLB (0.43) POLBPTPN2PTPN1CHRM2CHRM4

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-2250155-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-11-17 EP disclosed
WO-2009089462-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed