SCHEMBL5178573

SCHEMBL5178573

NC(=O)Oc1ccc2[nH]c(-c3ccc(C(O)c4ccncc4)cc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 18/20 0.62
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45

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
SCHEMBL5178239 0.90 CHEK2 (0.61) CHEK2
SCHEMBL5176810 0.89 CHEK2 (0.62) CHEK2
SCHEMBL5177827 0.89 CHEK2 (0.62) CHEK2
SCHEMBL5179268 0.89 CHEK2 (0.67) CHEK2
SCHEMBL5186567 0.87 CHEK2 (0.65) CHEK2
SCHEMBL5179098 0.86 CHEK2 (0.64) CHEK2
SCHEMBL5178101 0.86 CHEK2 (0.64) CHEK2
SCHEMBL5176026 0.86 CHEK2 (0.64) CHEK2
SCHEMBL5178100 0.85 CHEK2 (0.50) CHEK2
SCHEMBL5178975 0.85 CHEK2 (0.65) CHEK2

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
EP-1613313-B1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5]-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2007-06-06 EP claimed