SCHEMBL18861107

SCHEMBL18861107

COc1ccc(-c2cnc(N)c(-c3ccc(N)cc3)c2)cc1O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 16/20 0.68
▸ TGFBR1 P36897 1/20 0.67
▸ CHEK2 O96017 5/20 0.65
▸ CHEK1 O14757 2/20 0.65

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
SCHEMBL18860392 0.90 TGFBR1 (0.81) FYNTGFBR1CHEK2CHEK1
SCHEMBL29576661 0.87 FYN (0.76) FYNTGFBR1CHEK2CHEK1
SCHEMBL15334401 0.87 FYN (0.76) FYNTGFBR1CHEK2CHEK1
SCHEMBL17432782 0.83 USP7 (0.63) FYNTGFBR1CHEK2CHEK1
SCHEMBL22703879 0.82 FYN (0.67) FYNTGFBR1CHEK2CHEK1
SCHEMBL30521825 0.81 FYN (1.00) FYNTGFBR1CHEK2CHEK1
SCHEMBL20485719 0.81 FYN (1.00) FYNTGFBR1CHEK2CHEK1
SCHEMBL17110796 0.80 TGFBR1 (1.00) FYNTGFBR1CHEK2CHEK1
SCHEMBL18860414 0.79 CHEK2 (0.66) FYNTGFBR1CHEK2CHEK1
SCHEMBL18613288 0.78 FYN (1.00) FYNTGFBR1CHEK2

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
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