SCHEMBL6227971

SCHEMBL6227971

O=C1NC(=O)c2c1c(-c1cc([N+](=O)[O-])ccc1O)cc1[nH]c3ccc(O)cc3c21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.73
CHEK1 O14757 17/20 0.69
PRKCQ Q04759 2/20 0.59
MEN1 O00255 1/20 0.59
PRKD3 O94806 1/20 0.59
PRKCG P05129 1/20 0.59
PRKCB P05771 1/20 0.59
CDK4 P11802 1/20 0.59
PRKCA P17252 1/20 0.59
PRKCH P24723 1/20 0.59
PRKCI P41743 1/20 0.59
PRKCE Q02156 1/20 0.59
KMT2A Q03164 1/20 0.59
PRKCZ Q05513 1/20 0.59
PRKCD Q05655 1/20 0.59
PRKD1 Q15139 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TNIK Q9UKE5 1/20 0.59
DAPK3 O43293 1/20 0.59
JAK2 O60674 1/20 0.59

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
SCHEMBL5829004 0.90 WEE1 (0.78) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL5829115 0.88 WEE1 (0.71) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL5829088 0.88 WEE1 (0.78) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL6228285 0.87 WEE1 (0.72) WEE1CHEK1
SCHEMBL5828572 0.85 WEE1 (0.72) WEE1CHEK1
SCHEMBL5829042 0.84 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL5827790 0.82 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL5828678 0.81 WEE1 (1.00) WEE1CHEK1PRKCQMEN1PRKD3
SCHEMBL5829344 0.78 WEE1 (0.81) WEE1CHEK1PRKCQDAPK3JAK2
SCHEMBL5828477 0.77 WEE1 (0.69) WEE1CHEK1PRKCQDAPK3JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501831-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2005-02-02 EP disclosed
WO-2003091255-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2003-11-06 WO disclosed