SCHEMBL5829510

SCHEMBL5829510

NC(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 1.00
CHEK1 O14757 18/20 1.00
PRKCQ Q04759 2/20 0.71
DAPK3 O43293 1/20 0.71
JAK2 O60674 1/20 0.71
PAK4 O96013 1/20 0.71
ABL1 P00519 1/20 0.71
LCK P06239 1/20 0.71
FYN P06241 1/20 0.71
PIM1 P11309 1/20 0.71
PRKACA P17612 1/20 0.71
CDK2 P24941 1/20 0.71
LTK P29376 1/20 0.71
KDR P35968 1/20 0.71
MAP2K2 P36507 1/20 0.71
SYK P43405 1/20 0.71
CSNK1A1 P48729 1/20 0.71
GSK3A P49840 1/20 0.71
GSK3B P49841 1/20 0.71
RPS6KA3 P51812 1/20 0.71

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
SCHEMBL5828343 0.89 WEE1 (1.00) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL5828819 0.86 WEE1 (1.00) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL5828678 0.85 WEE1 (1.00) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL5828696 0.83 WEE1 (1.00) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL5828180 0.83 WEE1 (1.00) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL29521464 0.83 WEE1 (1.00) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL5828528 0.83 WEE1 (1.00) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL5828030 0.83 WEE1 (1.00) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL5829111 0.83 WEE1 (1.00) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL6516584 0.81 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3

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-7094798-B1 Inhibitors of checkpoint kinases (Wee1 and Chk1) PFIZER INC (US) 2006-08-22 US claimed
EP-1501831-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2005-02-02 EP claimed
WO-2003091255-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2003-11-06 WO claimed