SCHEMBL5828397

SCHEMBL5828397

COc1ccc2[nH]c3cc(-c4ccc([N+](=O)[O-])cc4Cl)c4c(c3c2c1)C(=O)NC4=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 15/20 0.70
CHEK1 O14757 13/20 0.70
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
PDGFRB P09619 1/20 0.52
GSK3B P49841 2/20 0.49
CDK5 Q00535 2/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
PIM1 P11309 1/20 0.49
PRKACA P17612 1/20 0.49
CDK2 P24941 1/20 0.49
LTK P29376 1/20 0.49
KDR P35968 1/20 0.49
MAP2K2 P36507 1/20 0.49
SYK P43405 1/20 0.49

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
SCHEMBL5828032 0.92 WEE1 (0.70) WEE1CHEK1CTSVCTSLPDGFRB
SCHEMBL5828726 0.89 WEE1 (0.83) WEE1CHEK1PDGFRBGSK3BCDK5
SCHEMBL6232312 0.89 WEE1 (0.59) WEE1CHEK1CTSVCTSLPDGFRB
SCHEMBL5829088 0.85 WEE1 (0.78) WEE1CHEK1GSK3BCDK5DAPK3
SCHEMBL5827617 0.83 WEE1 (0.74) WEE1CHEK1CTSVCTSLPDGFRB
SCHEMBL5828682 0.82 WEE1 (0.83) WEE1CHEK1PDGFRBGSK3BCDK5
SCHEMBL5827923 0.82 WEE1 (0.69) WEE1CHEK1PDGFRBGSK3BCDK5
SCHEMBL5828477 0.82 WEE1 (0.69) WEE1CHEK1GSK3BCDK5DAPK3
SCHEMBL5829332 0.81 WEE1 (0.73) WEE1CHEK1PDGFRBROCK2
SCHEMBL5829097 0.80 WEE1 (0.76) WEE1CHEK1PDGFRBGSK3BCDK5

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