SCHEMBL5819969

SCHEMBL5819969

CCn1ccc2cc(C(C)(C)C)nc(N3CCCCC3)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
DRD3 P35462 4/20 0.37
GRM2 Q14416 5/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 2/20 0.34
HTR2A P28223 2/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 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
SCHEMBL5820088 0.84 SYK (0.39) DRD2DRD3NPSR1L3MBTL1ALDH1A1
SCHEMBL4747717 0.83 GRM2 (0.36) GRM2L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL5816427 0.81 GRM2 (0.35) GRM2L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL5820228 0.77 KCNH2 (0.39) DRD2DRD3NPSR1ALDH1A1KDM4E
SCHEMBL4907061 0.74 EGFR (0.42) L3MBTL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL5814327 0.74 JAK2 (0.43) NPSR1L3MBTL1MEN1KMT2A
SCHEMBL4750623 0.71 GRM2 (0.40) DRD2GRM2NPSR1HTR1AHTR2A
SCHEMBL4747891 0.69 SYK (0.39) GRM2L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL5814919 0.69 KDM5A (0.33) GRM2L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL4788702 0.68 GRM2 (0.36) GRM2KDM4EMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO claimed
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO disclosed