SCHEMBL4724482

SCHEMBL4724482

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2cc(F)c(C#N)cc2F)ncn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.38
TBK1 Q9UHD2 5/20 0.37
AAK1 Q2M2I8 2/20 0.35
IKBKE Q14164 2/20 0.33
CCNT1 O60563 4/20 0.33
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
CCND3 P30281 4/20 0.33
CDK7 P50613 4/20 0.33
CDK9 P50750 4/20 0.33
CCNH P51946 4/20 0.33
MNAT1 P51948 4/20 0.33
CDK6 Q00534 4/20 0.33
CDK5 Q00535 4/20 0.33
CDK5R1 Q15078 4/20 0.33
ACACB O00763 2/20 0.32
KCNH2 Q12809 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
SCHEMBL386353 0.89 GPR119 (0.47) GPR119TBK1IKBKE
SCHEMBL4720580 0.89 TBK1 (0.37) GPR119TBK1AAK1ACACB
SCHEMBL4720573 0.89 GPR119 (0.48) GPR119TBK1AAK1CCNA2CDK2
SCHEMBL4723661 0.87 GPR119 (0.38) GPR119TBK1ACACB
SCHEMBL4719875 0.87 MKNK1 (0.39) GPR119TBK1CDK2ACACB
SCHEMBL4763290 0.86 TBK1 (0.40) GPR119TBK1AAK1CDK2ACACB
SCHEMBL4723185 0.85 TBK1 (0.38) GPR119TBK1ACACBKCNH2
SCHEMBL4722370 0.85 TBK1 (0.39) GPR119TBK1CDK2ACACB
SCHEMBL4718652 0.85 TBK1 (0.39) GPR119TBK1CCNA2CDK2CDK5
SCHEMBL4724030 0.85 KDR (0.39) TBK1CDK7KCNH2

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