SCHEMBL7202387

SCHEMBL7202387

COc1cc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc2nc(N)c(C#N)c(-c3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
ACHE P22303 4/20 0.43
SRC P12931 2/20 0.43
ACP1 P24666 1/20 0.43
BCHE P06276 3/20 0.41
LMNA P02545 2/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
HSD17B10 Q99714 4/20 0.39
USP2 O75604 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
FYN P06241 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL7166270 0.77 SRC (0.48) JAK1JAK2TYK2JAK3ACHE
SCHEMBL7202389 0.75 ALDH1A1 (0.43) ACHESRCLMNAHSD17B10MAPK1
SCHEMBL7202383 0.75 JAK1 (0.47) JAK1JAK2TYK2JAK3SRC
SCHEMBL7149804 0.71 LMNA (0.39) LMNAADORA2AADORA1HSD17B10USP2
SCHEMBL16618011 0.67 LMNA (0.45) SRCLMNAKDM4EHPGDFYN
SCHEMBL7913437 0.66 LMNA (0.51) LMNAADORA2AADORA1HSD17B10USP2
SCHEMBL27470171 0.66 ADORA2A (0.58) LMNAADORA2AADORA1HSD17B10USP2
SCHEMBL12493051 0.64 MEN1 (0.54) JAK1JAK2TYK2JAK3LMNA
SCHEMBL25537483 0.64 KMT2A (0.73) JAK1LMNAKDM4EALDH1A1MAPT
SCHEMBL3220983 0.64 SRC (0.87) SRCFYN

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
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed