SCHEMBL5178982

SCHEMBL5178982

NC(=O)Oc1ccc2[nH]c(-c3ccc(C(O)C4CCNCC4)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 17/20 0.53
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL5178379 0.91 CHEK2 (0.64) CHEK2
SCHEMBL5178359 0.90 CHEK2 (0.65) CHEK2
SCHEMBL5178259 0.89 CHEK2 (0.52) CHEK2
SCHEMBL1378829 0.85 CHEK2 (0.70) CHEK2
SCHEMBL1553042 0.85 CHEK2 (0.67) CHEK2
SCHEMBL5179213 0.83 CHEK2 (0.57) CHEK2
SCHEMBL1552741 0.82 CHEK2 (0.69) CHEK2DHODH
SCHEMBL5176542 0.82 CHEK2 (0.53) CHEK2DHODH
SCHEMBL1551653 0.80 CHEK2 (0.70) CHEK2DHODH
SCHEMBL5178239 0.79 CHEK2 (0.61) 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