SCHEMBL12339262

SCHEMBL12339262

C=CCNc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
SERPINA3 P01011 1/20 0.42
CDK1 P06493 1/20 0.39
PRKACA P17612 1/20 0.39
CCNA2 P20248 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
CCNA1 P78396 1/20 0.39
HDAC1 Q13547 3/20 0.38
SLC22A6 Q4U2R8 2/20 0.36
FGFR1 P11362 2/20 0.36
POLA1 P09884 2/20 0.36
POLG P54098 2/20 0.36
ABCB11 O95342 1/20 0.36
FAP Q12884 1/20 0.36
ADCY2 Q08462 1/20 0.35
HDAC2 Q92769 2/20 0.34

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
SCHEMBL14621775 1.00 POLB (0.46) POLBSERPINA3CDK1PRKACACCNA2
SCHEMBL2734863 0.93 POLB (0.46) POLBSERPINA3CDK1PRKACACCNA2
SCHEMBL14621772 0.93 POLB (0.46) POLBSERPINA3CDK1PRKACACCNA2
SCHEMBL14621760 0.92 POLB (0.44) POLBSERPINA3CDK1PRKACACCNA2
SCHEMBL14621492 0.91 POLB (0.45) POLBSERPINA3CDK1PRKACACCNA2
SCHEMBL14621990 0.91 POLB (0.45) POLBSERPINA3CDK1PRKACACCNA2
SCHEMBL10167597 0.91 POLB (0.47) POLBSERPINA3CDK1PRKACACCNA2
SCHEMBL2734860 0.90 POLB (0.44) POLBSERPINA3CDK1PRKACACCNA2
SCHEMBL14621500 0.90 POLB (0.44) POLBSERPINA3CDK1PRKACACCNA2
SCHEMBL14621721 0.88 POLB (0.45) POLBSERPINA3CDK1PRKACACCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed