SCHEMBL3433304

SCHEMBL3433304

CC1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)c2nc(N3CCCCCN3)ncc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.41
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 3/20 0.33
PTPN11 Q06124 1/20 0.33
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
NSD2 O96028 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3433299 0.81 POLB (0.41) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL30023899 0.74 PTPN2 (0.47) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL16488549 0.72 POLB (0.43) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL16488553 0.72 POLB (0.43) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL3129177 0.70 POLB (0.42) POLBCHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL2517408 0.69 POLB (0.39) POLBCHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL2517411 0.69 POLB (0.39) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL2519039 0.66 PTPN2 (0.46) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL6522269 0.66 PTPN2 (0.46) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL2515505 0.66 PTPN2 (0.46) POLBCHRM2CHRM4CHRM1CHRM3

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