SCHEMBL4720569

SCHEMBL4720569

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(NCCc2ccncc2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 5/20 0.40
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
ACACB O00763 2/20 0.35
GPR119 Q8TDV5 2/20 0.34
S1PR1 P21453 3/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
SLC2A1 P11166 1/20 0.33
F10 P00742 2/20 0.32
NAMPT P43490 1/20 0.32
GRIN2B Q13224 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
SCHEMBL27951655 0.93 TBK1 (0.38) TBK1MKNK1MKNK2ACACBGPR119
SCHEMBL4722068 0.91 TBK1 (0.37) TBK1ACACBGPR119NAMPT
SCHEMBL386386 0.89 TBK1 (0.48) TBK1GPR119SLC2A1GRIN2B
SCHEMBL4718846 0.86 GPR119 (0.35) TBK1ACACBGPR119S1PR1
SCHEMBL4723045 0.84 CYP1A2 (0.44) TBK1NAMPT
SCHEMBL27939028 0.83 ALDH1A1 (0.37) TBK1
SCHEMBL4719868 0.81 SSTR4 (0.35) TBK1ACACBGPR119
SCHEMBL4719132 0.81 LCK (0.36) TBK1ACACBGPR119
SCHEMBL4721758 0.80 PDE5A (0.39)
SCHEMBL4718690 0.80 TBK1 (0.38) TBK1ACACBGPR119S1PR1

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