SCHEMBL4788702

SCHEMBL4788702

COCCn1ccc2cc(C(C)C)nc(N3CCCCC3)c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.36
MAPT P10636 5/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
SLC29A1 Q99808 1/20 0.33
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KDM5A P29375 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL5814919 0.89 KDM5A (0.33) GRM2MAPTSLC29A1KDM4EKMT2A
SCHEMBL5816427 0.85 GRM2 (0.35) GRM2MAPTKDM4EHSD17B10MAPK1
SCHEMBL5813982 0.82 SYK (0.39) GRM2MAPTKDM4ETSHRHSD17B10
SCHEMBL4749987 0.74 EGFR (0.42) MAPTPOLBKDM4EKMT2AMEN1
SCHEMBL4747371 0.73 NPC1 (0.34) MAPTTP53KDM4EKMT2AMEN1
SCHEMBL4750208 0.70 JAK2 (0.43) MAPTKDM4EHSD17B10MAPK1KDM5A
SCHEMBL4747717 0.69 GRM2 (0.36) GRM2MAPTKDM4ETSHRGAA
SCHEMBL5819969 0.68 DRD2 (0.37) GRM2MAPTKDM4EKMT2AMEN1
SCHEMBL4747891 0.65 SYK (0.39) GRM2MAPTKDM4EKMT2AMEN1
SCHEMBL5820088 0.63 SYK (0.39) MAPTKDM4EKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 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 claimed
WO-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed
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