SCHEMBL5829182

SCHEMBL5829182

COc1ccc2[nH]c3cc(-c4c(Cl)ccc(OC)c4Cl)c4c(c3c2c1)C(=O)NC4=O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 17/20 0.69
CHEK1 O14757 15/20 0.69
PDGFRB P09619 1/20 0.56
ROCK2 O75116 2/20 0.51

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
SCHEMBL5829456 0.87 WEE1 (0.82) WEE1CHEK1PDGFRBROCK2
SCHEMBL5829097 0.86 WEE1 (0.76) WEE1CHEK1PDGFRBROCK2
SCHEMBL5828682 0.86 WEE1 (0.83) WEE1CHEK1PDGFRBROCK2
SCHEMBL5828726 0.84 WEE1 (0.83) WEE1CHEK1PDGFRBROCK2
SCHEMBL5828632 0.78 CHEK1 (0.76) WEE1CHEK1PDGFRBROCK2
SCHEMBL5829421 0.78 WEE1 (0.70) WEE1CHEK1PDGFRBROCK2
SCHEMBL5828032 0.78 WEE1 (0.70) WEE1CHEK1PDGFRBROCK2
SCHEMBL5828186 0.77 PDGFRB (0.69) WEE1CHEK1PDGFRBROCK2
SCHEMBL5828846 0.76 WEE1 (1.00) WEE1CHEK1
SCHEMBL5829093 0.76 WEE1 (0.78) WEE1CHEK1PDGFRBROCK2

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