SCHEMBL5603499

SCHEMBL5603499

O=C(O)N1CCC(Oc2cc(Nc3cccc(-c4cnco4)c3)ncn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.54
ERBB2 P04626 4/20 0.54
WNT1 P04628 3/20 0.44
GSK3B P49841 3/20 0.44
DYRK1A Q13627 3/20 0.44
BRAF P15056 3/20 0.43
CREBBP Q92793 1/20 0.42
RAF1 P04049 2/20 0.41
AAK1 Q2M2I8 2/20 0.40
RHOA P61586 1/20 0.40
HDAC4 P56524 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
LIMK2 P53671 1/20 0.39
TBK1 Q9UHD2 1/20 0.38

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
SCHEMBL389260 0.89 GPR119 (0.53) EGFRERBB2WNT1GSK3BDYRK1A
SCHEMBL4721873 0.84 EGFR (0.47) EGFRERBB2WNT1GSK3BDYRK1A
SCHEMBL22598701 0.78 EGFR (0.78) EGFRERBB2
SCHEMBL29751982 0.78 EGFR (0.78) EGFRERBB2
SCHEMBL1070555 0.75 GPR119 (0.47) EGFRGPR119
SCHEMBL29751954 0.75 EGFR (0.79) EGFRERBB2
SCHEMBL22598592 0.75 EGFR (0.79) EGFRERBB2
SCHEMBL1830976 0.74 GPR119 (0.45) EGFRGPR119
SCHEMBL1573307 0.73 EGFR (0.51) EGFRERBB2WNT1GSK3BDYRK1A
SCHEMBL1071293 0.72 GPR119 (0.42) EGFRERBB2GPR119

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-1808168-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level Arena Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed