SCHEMBL7608748

SCHEMBL7608748

O=C(O)n1c(=O)[nH]c2cncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
GSK3B P49841 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CYP2C19 P33261 1/20 0.33
HBB P68871 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL7600491 0.79 TNKS (0.39) TNKSTNKS2CYP1A2CYP3A4MEN1
SCHEMBL7535235 0.76 ALDH1A1 (0.40) TNKSTNKS2P2RX3P2RX2CYP1A2
SCHEMBL7688428 0.75 LMNA (0.56) TNKSTNKS2P2RX3CYP1A2CYP3A4
SCHEMBL482345 0.74 DYRK1A (0.42) TNKSCYP1A2CYP3A4MEN1LMNA
SCHEMBL24420477 0.74 ALDH1A1 (0.37) TNKSTNKS2P2RX3P2RX2CYP1A2
SCHEMBL28660913 0.74 TNKS (0.36) TNKSTNKS2P2RX3P2RX2CYP1A2
SCHEMBL23240599 0.74 TNKS (0.36) TNKSTNKS2P2RX3P2RX2CYP1A2
SCHEMBL29038509 0.73 DAO (0.63) TNKSTNKS2ALDH1A1DAOFEN1
SCHEMBL5805556 0.71 CYP1A2 (0.49) TNKSTNKS2P2RX3P2RX2CYP1A2
SCHEMBL29385770 0.70 POLB (0.44) TNKSTNKS2P2RX3MEN1LMNA

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-2002030886-A2 HETEROCYCLIC ANGIOGENESIS INHIBITORS MATTHEWS BARRY R (AU) 2002-04-18 WO claimed
WO-2002030886-A2 HETEROCYCLIC ANGIOGENESIS INHIBITORS MATTHEWS BARRY R (AU) 2002-04-18 WO disclosed