SCHEMBL18861083

SCHEMBL18861083

CCO[C@H](CO)COc1ccc(-c2cnc(N)c(-c3ccc(N)cc3)c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 16/20 0.58
▸ CHEK2 O96017 5/20 0.54
▸ CHEK1 O14757 2/20 0.54
▸ TGFBR1 P36897 2/20 0.50

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
SCHEMBL23158856 0.90 FYN (0.49) FYNCHEK2CHEK1TGFBR1
SCHEMBL23158627 0.90 FYN (0.49) FYNCHEK2CHEK1TGFBR1
SCHEMBL18861280 0.88 FYN (0.57) FYNCHEK2CHEK1TGFBR1
SCHEMBL18861271 0.83 FYN (0.60) FYNCHEK2CHEK1TGFBR1
SCHEMBL15334401 0.81 FYN (0.76) FYNCHEK2CHEK1TGFBR1
SCHEMBL29576661 0.81 FYN (0.76) FYNCHEK2CHEK1TGFBR1
SCHEMBL22703879 0.80 FYN (0.67) FYNCHEK2CHEK1TGFBR1
SCHEMBL18861092 0.77 FYN (0.47) FYNCHEK2CHEK1TGFBR1
SCHEMBL18861235 0.77 FYN (0.47) FYNCHEK2CHEK1TGFBR1
SCHEMBL18860392 0.76 TGFBR1 (0.81) FYNCHEK2CHEK1TGFBR1

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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