SCHEMBL4722378

SCHEMBL4722378

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2cc(C(=O)O)ccc2F)ncn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.37
ACACB O00763 2/20 0.34
MPL P40238 2/20 0.34
GPR119 Q8TDV5 2/20 0.33
CACNA1H O95180 1/20 0.33
BRAF P15056 6/20 0.33
CSF1R P07333 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
LIMK2 P53671 1/20 0.32

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
SCHEMBL4763290 0.91 TBK1 (0.40) TBK1ACACBMPLGPR119CACNA1H
SCHEMBL391565 0.89 TBK1 (0.45) TBK1GPR119LIMK2
SCHEMBL4718652 0.89 TBK1 (0.39) TBK1ACACBGPR119CACNA1HCDK4
SCHEMBL4721977 0.88 GPR119 (0.43) TBK1GPR119
SCHEMBL4719875 0.87 MKNK1 (0.39) TBK1ACACBGPR119CDK4CDK2
SCHEMBL4720580 0.87 TBK1 (0.37) TBK1ACACBGPR119CACNA1HAAK1
SCHEMBL4724082 0.86 TBK1 (0.38) TBK1ACACBMPLGPR119CACNA1H
SCHEMBL4723185 0.86 TBK1 (0.38) TBK1ACACBGPR119
SCHEMBL4722370 0.86 TBK1 (0.39) TBK1ACACBGPR119CACNA1HCDK4
SCHEMBL4719783 0.86 TBK1 (0.39) TBK1ACACBMPLGPR119CACNA1H

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