SCHEMBL6646115

SCHEMBL6646115

COc1cc(Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 18/20 0.64
RHEB Q15382 1/20 0.50

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
SCHEMBL3919815 0.91 CHEK2 (0.71) CHEK2
SCHEMBL3922054 0.89 CHEK2 (0.68) CHEK2RHEB
SCHEMBL3915285 0.88 CHEK2 (0.71) CHEK2
SCHEMBL3916748 0.87 CHEK2 (0.82) CHEK2
SCHEMBL3925875 0.86 CHEK2 (0.73) CHEK2
SCHEMBL3916858 0.85 CHEK2 (0.70) CHEK2
SCHEMBL3916411 0.85 CHEK2 (0.82) CHEK2
SCHEMBL1662758 0.83 CHEK2 (0.76) CHEK2
SCHEMBL3916733 0.83 CHEK2 (0.71) CHEK2
SCHEMBL3919712 0.82 CHEK2 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435947-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-14 EP disclosed
WO-2003032984-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDSI/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-04-24 WO disclosed