SCHEMBL9966874

SCHEMBL9966874

Oc1ccccc1-c1nc(NC2CCNC2)c2cc(-c3ccccc3)ccc2n1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 20/20 0.77
CHEK1 O14757 11/20 0.77

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
SCHEMBL9967130 1.00 CHEK2 (0.77) CHEK2CHEK1
SCHEMBL9966846 0.93 CHEK2 (0.79) CHEK2CHEK1
SCHEMBL2332901 0.90 CHEK2 (0.81) CHEK2CHEK1
SCHEMBL2332888 0.90 CHEK2 (0.81) CHEK2CHEK1
SCHEMBL2328593 0.89 CHEK2 (0.78) CHEK2CHEK1
SCHEMBL2328600 0.89 CHEK2 (0.78) CHEK2CHEK1
SCHEMBL2330240 0.87 CHEK2 (1.00) CHEK2CHEK1
SCHEMBL2334613 0.87 CHEK2 (1.00) CHEK2CHEK1
SCHEMBL2330231 0.87 CHEK2 (1.00) CHEK2CHEK1
SCHEMBL12445959 0.86 CHEK2 (0.83) CHEK2CHEK1

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-2227460-B1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2012-06-20 EP disclosed