SCHEMBL18861092

SCHEMBL18861092

CCO[C@H](C)COc1ccc(-c2cnc(N)c(-c3ccc(N)cc3F)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 18/20 0.47
▸ TGFBR1 P36897 2/20 0.44
▸ CHEK2 O96017 3/20 0.44
▸ CHEK1 O14757 1/20 0.44

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
SCHEMBL18861235 1.00 FYN (0.47) FYNTGFBR1CHEK2CHEK1
SCHEMBL18861280 0.88 FYN (0.57) FYNTGFBR1CHEK2CHEK1
SCHEMBL23158627 0.88 FYN (0.49) FYNTGFBR1CHEK2CHEK1
SCHEMBL23158856 0.88 FYN (0.49) FYNTGFBR1CHEK2CHEK1
SCHEMBL15334326 0.85 FYN (0.60) FYNTGFBR1CHEK2CHEK1
SCHEMBL29631737 0.85 FYN (0.60) FYNTGFBR1CHEK2CHEK1
SCHEMBL23158725 0.80 FYN (0.46) FYNTGFBR1CHEK2CHEK1
SCHEMBL18861171 0.79 FYN (0.46) FYNTGFBR1CHEK2CHEK1
SCHEMBL18861104 0.78 TGFBR1 (0.70) FYNTGFBR1CHEK2CHEK1
SCHEMBL18861081 0.77 CHEK2 (0.55) FYNTGFBR1CHEK2CHEK1

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-3168219-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-05-17 — — EP disclosed
Send feedback