SCHEMBL1552741

SCHEMBL1552741

NC(=O)Oc1ccc2[nH]c(-c3ccc(OCC4CCNCC4)cc3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 19/20 0.69
DHODH Q02127 1/20 0.47

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
SCHEMBL1553038 0.91 CHEK2 (0.69) CHEK2
SCHEMBL1553024 0.91 CHEK2 (0.69) CHEK2
SCHEMBL1551653 0.90 CHEK2 (0.70) CHEK2DHODH
SCHEMBL1552688 0.89 CHEK2 (0.71) CHEK2
SCHEMBL5176542 0.88 CHEK2 (0.53) CHEK2DHODH
SCHEMBL1551742 0.88 CHEK2 (0.85) CHEK2
SCHEMBL1552345 0.87 CHEK2 (0.72) CHEK2
SCHEMBL1553042 0.86 CHEK2 (0.67) CHEK2
SCHEMBL5179213 0.84 CHEK2 (0.57) CHEK2
SCHEMBL1553015 0.84 CHEK2 (0.76) 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-1824832-B1 ARYL-SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE ETHERS AS ANTI-CANCER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2011-04-27 EP claimed