SCHEMBL4721873

SCHEMBL4721873

CC(C)OC(=O)ON1CCC(Oc2cc(Nc3cccc(-c4cnco4)c3)ncn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.47
ERBB2 P04626 4/20 0.47
BRAF P15056 3/20 0.42
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
GPR119 Q8TDV5 4/20 0.42
RAF1 P04049 2/20 0.40
CREBBP Q92793 3/20 0.39
LIMK2 P53671 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
PRKCQ Q04759 1/20 0.36
BRD4 O60885 2/20 0.35
RHOA P61586 1/20 0.35

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) EGFRERBB2BRAFWNT1GSK3B
SCHEMBL5603499 0.84 EGFR (0.54) EGFRERBB2BRAFWNT1GSK3B
SCHEMBL4723272 0.83 GPR119 (0.46) GPR119
SCHEMBL4723387 0.81 GPR119 (0.49) GPR119
SCHEMBL4721070 0.80 KDR (0.49) GPR119
SCHEMBL4723183 0.78 GPR119 (0.46) EGFRDYRK1AGPR119
SCHEMBL4721907 0.78 GPR119 (0.47) GPR119
SCHEMBL4722122 0.78 GPR119 (0.51) GPR119
SCHEMBL4723224 0.78 GPR119 (0.46) GPR119
SCHEMBL4722319 0.78 GPR119 (0.43) ERBB2GPR119

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-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP claimed