SCHEMBL7368263

SCHEMBL7368263

CC(C)(CN)OC(=O)c1ccc2c(Cl)n[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.41
RAB9A P51151 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GSK3B P49841 1/20 0.34
PARP1 P09874 2/20 0.34
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
DYRK1A Q13627 1/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL7369784 0.86 IMPDH2 (0.37) MAP2K4RAB9AGABRA1GABRG2GABRB3
SCHEMBL12491369 0.79 MAP2K4 (0.61) MAP2K4RAB9APARP1DYRK1AKIF11
SCHEMBL8890934 0.74 PRKAB2 (0.50) MAP2K4GSK3BDYRK1APRKAB2PRKAG1
SCHEMBL23675227 0.68 MAP2K4 (0.54) MAP2K4RAB9AKIF11JAK2NPC1
SCHEMBL29564826 0.68 MAP2K4 (0.54) MAP2K4RAB9AKIF11JAK2NPC1
SCHEMBL27819729 0.68 ELANE (0.45) GABRA1GABRG2GABRB3PRKAB2PRKAG1
SCHEMBL7373521 0.68 ALDH1A1 (0.46) JAK2
SCHEMBL7368266 0.68 CA12 (0.47) GSK3BJAK2SRC
SCHEMBL4404846 0.66 MAP2K4 (0.56) MAP2K4RAB9APARP1ABL1BCR
SCHEMBL30159687 0.66 MAP2K4 (0.56) MAP2K4RAB9APARP1ABL1BCR

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
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed