SCHEMBL9925852

SCHEMBL9925852

CCC(NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)NC(CC)C(=O)OC(C)C)C(=O)OC(C)C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
SERPINA3 P01011 1/20 0.43
ABCB1 P08183 5/20 0.41
NR1I2 O75469 1/20 0.40
ALB P02768 1/20 0.40
PDE4D Q08499 1/20 0.40
CDK2 P24941 2/20 0.37
PDGFRA P16234 1/20 0.37
CCNE1 P24864 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
FGFR1 P11362 3/20 0.36
CDK9 P50750 1/20 0.36
ADCY2 Q08462 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL13818568 0.97 POLB (0.60) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL13797806 0.93 POLB (0.64) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL2734674 0.93 POLB (0.64) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL2734648 0.92 POLB (0.65) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL12339233 0.92 POLB (0.65) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL14625850 0.91 POLB (0.66) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL2734672 0.91 POLB (0.62) POLBABCB1NR1I2ALBPDE4D
SCHEMBL2734835 0.90 POLB (0.61) POLBABCB1NR1I2ALBPDE4D
SCHEMBL13818566 0.88 POLB (0.57) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL13210638 0.88 POLB (0.47) POLBSERPINA3CDK2CCNE1FGFR1

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-2204374-B1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES INC (US) 2012-06-13 EP disclosed
EP-1716162-B1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES INC (US) 2010-08-18 EP disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed