SCHEMBL7202383

SCHEMBL7202383

COc1ccccc1-c1nc2cc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)ccc2c(N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.47
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
SRC P12931 6/20 0.44
ACP1 P24666 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
GRM2 Q14416 1/20 0.41
FYN P06241 2/20 0.41
PIP4K2A P48426 1/20 0.40
EGFR P00533 1/20 0.39
MAP2K1 Q02750 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7202389 0.79 ALDH1A1 (0.43) SRCFYNEGFRMAP2K1ALDH1A1
SCHEMBL7166266 0.78 SRC (0.52) JAK1JAK2TYK2JAK3SRC
SCHEMBL7202387 0.75 JAK1 (0.44) JAK1JAK2TYK2JAK3SRC
SCHEMBL7149801 0.72 PIP4K2A (0.44) SRCADORA2AADORA1PIP4K2AALDH1A1
SCHEMBL7913436 0.68 ABCC8 (0.58) ADORA2AADORA1ALDH1A1LMNAHPGD
SCHEMBL27572378 0.67 SRC (0.52) SRCFYNEGFRMAP2K1
SCHEMBL3220983 0.67 SRC (0.87) SRCFYNEGFRMAP2K1
SCHEMBL27588233 0.66 SRC (0.61) SRCFYNEGFRMAP2K1
SCHEMBL7166273 0.66 SRC (0.53) JAK1JAK2SRCFYNEGFR
SCHEMBL12493051 0.66 MEN1 (0.54) JAK1JAK2TYK2JAK3ALDH1A1

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