SCHEMBL5828632

SCHEMBL5828632

COc1ccc2[nH]c3cc(-c4cccc(O)c4Cl)c4c(c3c2c1)C(=O)NC4=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.76
WEE1 P30291 17/20 0.76
PDGFRB P09619 1/20 0.58
ROCK2 O75116 2/20 0.57
DAPK3 O43293 1/20 0.57
JAK2 O60674 1/20 0.57
PAK4 O96013 1/20 0.57
ABL1 P00519 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
PIM1 P11309 1/20 0.57
PRKACA P17612 1/20 0.57
CDK2 P24941 1/20 0.57
LTK P29376 1/20 0.57
KDR P35968 1/20 0.57
MAP2K2 P36507 1/20 0.57
SYK P43405 1/20 0.57
CSNK1A1 P48729 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57

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
SCHEMBL5829173 0.89 WEE1 (0.77) CHEK1WEE1PDGFRBROCK2DAPK3
SCHEMBL5829205 0.86 WEE1 (1.00) CHEK1WEE1DAPK3JAK2PAK4
SCHEMBL5827923 0.84 WEE1 (0.69) CHEK1WEE1PDGFRBROCK2DAPK3
SCHEMBL5829456 0.84 WEE1 (0.82) CHEK1WEE1PDGFRBROCK2DAPK3
SCHEMBL5828682 0.83 WEE1 (0.83) CHEK1WEE1PDGFRBROCK2DAPK3
SCHEMBL5828726 0.83 WEE1 (0.83) CHEK1WEE1PDGFRBROCK2DAPK3
SCHEMBL5829093 0.82 WEE1 (0.78) CHEK1WEE1PDGFRBROCK2DAPK3
SCHEMBL5827986 0.81 WEE1 (0.77) CHEK1WEE1PDGFRBROCK2PRKCQ
SCHEMBL5827976 0.81 WEE1 (0.77) CHEK1WEE1PDGFRBROCK2DAPK3
SCHEMBL5828158 0.81 WEE1 (0.77) CHEK1WEE1PDGFRBROCK2DAPK3

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 1 patent. 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 disclosed