SCHEMBL7002658

SCHEMBL7002658

O=c1c2cc3c(cc2c(-c2ccc4c(c2)OCO4)nn1CCc1ncc[nH]1)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
CLK2 P49760 3/20 0.44
DYRK1A Q13627 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
DYRK1B Q9Y463 3/20 0.44
CLK1 P49759 2/20 0.44
NAMPT P43490 2/20 0.43
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL13548372 0.80 ALDH1A1 (0.52) KDM4EHTTSMN1; SMN2MERTKMAPK9
SCHEMBL3527781 0.79 HTT (0.46) KDM4EHTTSMN1; SMN2MERTKMAPK9
SCHEMBL3524028 0.77 BRD9 (0.48) KDM4EHTTSMN1; SMN2MERTKMAPK9
SCHEMBL3524171 0.77 ALDH1A1 (0.47) KDM4EFGFR1HTTSMN1; SMN2MAPK9
SCHEMBL3523275 0.76 KCNH2 (0.47) RETFGFR1HTTSMN1; SMN2MAPK9
SCHEMBL3524981 0.76 ALDH1A1 (0.48) KDM4ECLK4GSK3BHTTSMN1; SMN2
SCHEMBL3522769 0.72 ALDH1A1 (0.58) KDM4EJAK2JAK3HTTSMN1; SMN2
SCHEMBL7689517 0.72 SMN1; SMN2 (0.51) KDM4ECLK2DYRK1ACLK4DYRK1B
SCHEMBL7359530 0.67 PDE4A (0.48) KDM4EHTTSMN1; SMN2MAPK1MAP2K4
SCHEMBL7364301 0.67 HTT (0.47) KDM4EHTTSMN1; SMN2MERTKMAPK9

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
EP-1066039-A4 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS INC (US) 2003-02-26 EP disclosed
EP-1066039-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF Cocensys, Inc. (US) 2001-01-10 EP disclosed
WO-1999044612-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS, INC. (US) 1999-09-10 WO disclosed