SCHEMBL18860414

SCHEMBL18860414

COc1ccc(-c2cnc(N)c(-c3ccc(N)cc3)c2)cc1OC(=O)CO

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 7/20 0.66
▸ CHEK1 O14757 2/20 0.66
▸ FYN P06241 14/20 0.64
▸ TGFBR1 P36897 1/20 0.55

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
SCHEMBL23158630 0.89 CHEK2 (0.61) CHEK2CHEK1FYNTGFBR1
SCHEMBL18861081 0.89 CHEK2 (0.55) CHEK2CHEK1FYNTGFBR1
SCHEMBL29576661 0.85 FYN (0.76) CHEK2CHEK1FYNTGFBR1
SCHEMBL15334401 0.85 FYN (0.76) CHEK2CHEK1FYNTGFBR1
SCHEMBL23158768 0.85 CHEK2 (0.55) CHEK2CHEK1FYNTGFBR1
SCHEMBL22703879 0.82 FYN (0.67) CHEK2CHEK1FYNTGFBR1
SCHEMBL18861126 0.81 CHEK2 (0.52) CHEK2CHEK1FYN
SCHEMBL18860959 0.81 CHEK2 (0.52) CHEK2CHEK1FYN
SCHEMBL18860392 0.80 TGFBR1 (0.81) CHEK2CHEK1FYNTGFBR1
SCHEMBL18861107 0.79 FYN (0.68) CHEK2CHEK1FYNTGFBR1

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-3168219-B1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP DAIICHI SANKYO CO LTD (JP) 2021-03-31 — — EP disclosed
EP-3168219-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-05-17 — — EP disclosed
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