SCHEMBL6015287

SCHEMBL6015287

N#Cc1cccc(-c2nc(C(=O)O)c(NC(N)=O)s2)c1.NC(=O)[C@H]1CCCNC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.54
CDK2AP1 O14519 3/20 0.46

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
SCHEMBL6015280 0.88 CHEK1 (0.48) CHEK1CDK2AP1
SCHEMBL5555715 0.85 PIN1 (0.47) CHEK1
SCHEMBL1564649 0.84 CHEK1 (0.71) CHEK1CDK2AP1
SCHEMBL6015302 0.82 CHEK1 (0.49) CHEK1CDK2AP1
SCHEMBL6015228 0.81 CHEK1 (0.47) CHEK1CDK2AP1
SCHEMBL6015241 0.81 CHEK1 (0.47) CHEK1CDK2AP1
SCHEMBL6015254 0.80 CHEK1 (0.42) CHEK1CDK2AP1
SCHEMBL6015237 0.76 KDM4E (0.49) CHEK1CDK2AP1
SCHEMBL6015246 0.75 CHEK1 (0.48) CHEK1CDK2AP1
SCHEMBL1563775 0.72 CHEK1 (0.66) CHEK1CDK2AP1

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-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 WO disclosed