SCHEMBL7369784

SCHEMBL7369784

Cc1n[nH]c2cc(C(=O)OC(C)(C)CN)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.37
PARP1 P09874 3/20 0.37
MAP2K4 P45985 3/20 0.37
DYRK1A Q13627 1/20 0.37
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37
RAB9A P51151 2/20 0.36
CSNK2A1 P68400 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
KIF11 P52732 1/20 0.34
NPC1 O15118 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
MAPK6 Q16659 1/20 0.34
MAPKAPK5 Q8IW41 1/20 0.34

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
SCHEMBL7368263 0.86 MAP2K4 (0.41) PARP1MAP2K4DYRK1AABL1BCR
SCHEMBL31750236 0.78 MAP2K4 (0.56) PARP1MAP2K4DYRK1ARAB9ACSNK2A1
SCHEMBL1501576 0.78 MAP2K4 (0.56) PARP1MAP2K4DYRK1ARAB9ACSNK2A1
Methyl Alcohol SCHEMBL6305572 0.77 MAP2K4 (0.54) PARP1MAP2K4DYRK1ARAB9ACSNK2A1
SCHEMBL31173858 0.75 MAP2K4 (0.51) PARP1MAP2K4ABL1BCRMAPK1
SCHEMBL31746650 0.73 DYRK1A (0.52) PARP1MAP2K4DYRK1ACSNK2A1MAPK1
SCHEMBL1144879 0.73 DYRK1A (0.52) PARP1MAP2K4DYRK1ACSNK2A1MAPK1
SCHEMBL31746642 0.72 MAP2K4 (0.42) PARP1MAP2K4DYRK1AABL1BCR
SCHEMBL16771391 0.69 MTNR1A (0.39) DYRK1AARKDM4E
SCHEMBL4749996 0.69 MAPT (0.38) RAB9ANPC1MAPK1

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