SCHEMBL14621985

SCHEMBL14621985

C=CCNc1nc(N)nc2c1ncn2CCOCP(=O)(NC(C)C(=O)OC(C)C)NC(Cc1ccccc1)C(=O)OCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.51
ADCY2 Q08462 1/20 0.44
POLB P06746 2/20 0.37
HDAC1 Q13547 4/20 0.37
CDK1 P06493 3/20 0.34
HDAC2 Q92769 2/20 0.32
HPRT1 P00492 1/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CACNA1B Q00975 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 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
SCHEMBL12339269 0.95 SERPINA3 (0.48) SERPINA3ADCY2POLBHDAC1CDK1
SCHEMBL14625843 0.95 SERPINA3 (0.48) SERPINA3ADCY2POLBHDAC1CDK1
SCHEMBL2734869 0.89 SERPINA3 (0.48) SERPINA3ADCY2POLBHDAC1CDK1
SCHEMBL14621490 0.89 SERPINA3 (0.48) SERPINA3ADCY2POLBHDAC1CDK1
SCHEMBL2734676 0.88 POLB (0.52) SERPINA3ADCY2POLBHDAC1HDAC2
SCHEMBL12339262 0.88 POLB (0.46) SERPINA3ADCY2POLBHDAC1CDK1
SCHEMBL14621775 0.88 POLB (0.46) SERPINA3ADCY2POLBHDAC1CDK1
SCHEMBL14621917 0.87 SERPINA3 (0.46) SERPINA3ADCY2POLBHDAC1CDK1
SCHEMBL12339272 0.87 SERPINA3 (0.46) SERPINA3ADCY2POLBHDAC1CDK1
SCHEMBL14621983 0.86 SERPINA3 (0.46) SERPINA3ADCY2POLBHDAC1CDK1

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
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO disclosed