SCHEMBL5829332

SCHEMBL5829332

COc1ccc2[nH]c3cc(-c4ccccc4[N+](=O)[O-])c4c(c3c2c1)C(=O)NC4=O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 18/20 0.73
CHEK1 O14757 16/20 0.73
ROCK2 O75116 1/20 0.55
PDGFRB P09619 1/20 0.55

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
SCHEMBL5827923 0.90 WEE1 (0.69) WEE1CHEK1ROCK2PDGFRB
SCHEMBL9832534 0.85 WEE1 (0.78) WEE1CHEK1
SCHEMBL5828676 0.85 WEE1 (0.84) WEE1CHEK1
SCHEMBL5827790 0.84 WEE1 (1.00) WEE1CHEK1
SCHEMBL5829093 0.84 WEE1 (0.78) WEE1CHEK1ROCK2PDGFRB
SCHEMBL5827976 0.83 WEE1 (0.77) WEE1CHEK1ROCK2PDGFRB
SCHEMBL5828158 0.83 WEE1 (0.77) WEE1CHEK1ROCK2PDGFRB
SCHEMBL5829173 0.83 WEE1 (0.77) WEE1CHEK1ROCK2PDGFRB
SCHEMBL5827986 0.83 WEE1 (0.77) WEE1CHEK1ROCK2PDGFRB
SCHEMBL5827617 0.82 WEE1 (0.74) WEE1CHEK1ROCK2PDGFRB

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