SCHEMBL9966966

SCHEMBL9966966

OCc1ccc2c(N[C@H]3CCNC3)nc(-c3cc(F)ccc3O)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 20/20 0.75
CHEK1 O14757 15/20 0.75

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
SCHEMBL2332903 0.91 CHEK2 (0.85) CHEK2CHEK1
SCHEMBL2332897 0.91 CHEK2 (0.85) CHEK2CHEK1
SCHEMBL2333999 0.91 CHEK2 (0.79) CHEK2CHEK1
SCHEMBL2333991 0.91 CHEK2 (0.79) CHEK2CHEK1
SCHEMBL2333973 0.88 CHEK2 (0.68) CHEK2CHEK1
SCHEMBL2333979 0.88 CHEK2 (0.68) CHEK2CHEK1
SCHEMBL12445772 0.88 CHEK2 (0.83) CHEK2CHEK1
SCHEMBL2333153 0.85 CHEK2 (1.00) CHEK2CHEK1
SCHEMBL2333158 0.85 CHEK2 (1.00) CHEK2CHEK1
SCHEMBL2331228 0.85 CHEK2 (0.69) 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 2 patents. 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
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed