SCHEMBL7947109

SCHEMBL7947109

CC(C)(C)OC(=O)N1Cc2c([nH]oc2=O)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
C5AR1 P21730 1/20 0.33
BUB1 O43683 1/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
DDB1 Q16531 3/20 0.31
CRBN Q96SW2 3/20 0.31
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL1837535 0.76 NR1H2 (0.36) NR1H2C5AR1BUB1CCNA2CDK2
SCHEMBL16627099 0.73 CDK2 (0.43) NR1H2C5AR1CCNA2CDK2CCNA1
SCHEMBL17536005 0.73 BUB1 (0.39) NR1H2USP2SMN1; SMN2C5AR1BUB1
SCHEMBL19195046 0.72 NR1H2 (0.38) NR1H2C5AR1BUB1CCNA2CDK2
SCHEMBL26407436 0.72 NR1H2 (0.35) NR1H2C5AR1CCNA2CDK2CCNA1
SCHEMBL1368936 0.72 CDK2 (0.42) NR1H2C5AR1CCNA2CDK2CCNA1
SCHEMBL17536013 0.70 CHRM2 (0.39) NR1H2USP2SMN1; SMN2BUB1
SCHEMBL22095959 0.68 C5AR1 (0.39) NR1H2C5AR1CCNA2CDK2CCNA1
SCHEMBL23537542 0.66 NR1H2 (0.35) NR1H2USP2SMN1; SMN2C5AR1BUB1
SCHEMBL23537540 0.66 NR1H2 (0.35) NR1H2USP2SMN1; SMN2C5AR1BUB1

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-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed