SCHEMBL7905940

SCHEMBL7905940

Cc1cnccc1-c1cccc(Nc2c(N)c(=O)c2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.39
BUB1 O43683 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
FFAR1 O14842 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
ABL1 P00519 3/20 0.36
CYP19A1 P11511 1/20 0.36
IDO1 P14902 3/20 0.36
BCR P11274 2/20 0.36
TDO2 P48775 2/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL7905484 0.81 MEN1 (0.50) ABL1BCREGFRSRCPRKACA
SCHEMBL7913081 0.80 HDAC3 (0.46) BRD4BUB1MAPKAPK2ABL1BCR
SCHEMBL7915476 0.77 CNR1 (0.45) BUB1ABL1BCREGFRSRC
SCHEMBL7905830 0.74 SIRT2 (0.48) MEN1POLBKMT2A
SCHEMBL7914160 0.73 CXCR2 (0.43) MEN1POLBKMT2A
SCHEMBL7905946 0.72 MEN1 (0.50) BRD4MEN1POLBKMT2A
SCHEMBL11185053 0.72 MEN1 (0.56) CCNCCDK8CYP19A1MEN1
SCHEMBL8230052 0.72 ADORA2A (0.53) IDO1RAPGEF4MEN1POLBKMT2A
SCHEMBL7346763 0.72 TDO2 (0.50) TDO2KMT2A
SCHEMBL7916081 0.72 CNR1 (0.47) BRD4MAPKAPK2ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US claimed
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US disclosed
WO-1994029277-A1 AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-12-22 WO disclosed