SCHEMBL5829446

SCHEMBL5829446

O=C1NC(=O)c2c1ccc1[nH]c3ccc(O)cc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 18/20 1.00
CHEK1 O14757 16/20 1.00
ROCK2 O75116 1/20 0.66
PARP1 P09874 1/20 0.66
MEN1 O00255 1/20 0.64
PRKD3 O94806 1/20 0.64
PRKCG P05129 1/20 0.64
PRKCB P05771 1/20 0.64
CDK4 P11802 1/20 0.64
PRKCA P17252 1/20 0.64
PRKCH P24723 1/20 0.64
PRKCI P41743 1/20 0.64
PRKCE Q02156 1/20 0.64
KMT2A Q03164 1/20 0.64
PRKCQ Q04759 1/20 0.64
PRKCZ Q05513 1/20 0.64
PRKCD Q05655 1/20 0.64
PRKD1 Q15139 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
TNIK Q9UKE5 1/20 0.64

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
SCHEMBL31061050 1.00 WEE1 (1.00) WEE1CHEK1ROCK2PARP1MEN1
SCHEMBL5828400 0.80 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL5828179 0.80 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL29516962 0.80 PARP1 (1.00) WEE1CHEK1ROCK2PARP1MEN1
SCHEMBL5381581 0.80 PARP1 (1.00) WEE1CHEK1ROCK2PARP1MEN1
SCHEMBL8120620 0.80 ROCK2 (1.00) WEE1CHEK1ROCK2
SCHEMBL5828156 0.79 WEE1 (1.00) WEE1CHEK1ROCK2MEN1PRKD3
SCHEMBL5829250 0.78 PDGFRB (0.68) WEE1CHEK1ROCK2PARP1MEN1
SCHEMBL30250020 0.78 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG
SCHEMBL29414147 0.78 WEE1 (1.00) WEE1CHEK1MEN1PRKD3PRKCG

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