SCHEMBL5814919

SCHEMBL5814919

COCn1ccc2cc(C(C)C)nc(N3CCCCC3)c2c1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
GRM2 Q14416 3/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 4/20 0.31
ACKR3 P25106 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
FYN P06241 1/20 0.30
SRC P12931 1/20 0.30
FLT3 P36888 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SLC29A1 Q99808 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4788702 0.89 GRM2 (0.36) KDM5AGRM2KDM4EMAPTSLC29A1
SCHEMBL5816427 0.87 GRM2 (0.35) KDM5AGRM2HPGDALDH1A1ACKR3
SCHEMBL5813982 0.81 SYK (0.39) KDM5AGRM2HPGDALDH1A1ACKR3
SCHEMBL4749987 0.76 EGFR (0.42) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL4747371 0.75 NPC1 (0.34) HPGDALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL4750208 0.72 JAK2 (0.43) KDM5AHPGDALDH1A1KDM4EMAPT
SCHEMBL4747717 0.71 GRM2 (0.36) GRM2ALDH1A1KDM4EMAPTHTT
SCHEMBL5819969 0.69 DRD2 (0.37) GRM2ALDH1A1KDM4EMAPTHTT
SCHEMBL4747891 0.65 SYK (0.39) GRM2ALDH1A1KDM4EMAPTHTT
SCHEMBL5820088 0.62 SYK (0.39) ALDH1A1KDM4EMAPTHTTL3MBTL1

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