SCHEMBL6160721

SCHEMBL6160721

NC(=O)c1cc(-c2nnn[nH]2)cc(-c2nnn[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.37
CDC7 O00311 1/20 0.36
MKNK1 Q9BUB5 4/20 0.33
MKNK2 Q9HBH9 4/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MAP4K4 O95819 1/20 0.33
MAP2K4 P45985 3/20 0.32
TTK P33981 1/20 0.32
RIPK1 Q13546 1/20 0.32
CHEK2 O96017 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARP1 P09874 1/20 0.32
MAPK1 P28482 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
MAPKAPK3 Q16644 1/20 0.31
MAPK6 Q16659 1/20 0.31
MAPKAPK5 Q8IW41 1/20 0.31
PKN1 Q16512 1/20 0.31

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
SCHEMBL12480274 0.89 PARP1 (0.38) DHODHCDC7CCNCCDK8CHEK2
SCHEMBL3065165 0.83 PARP1 (0.46) CDC7CCNCCDK8MAP2K4TTK
Hydrochloric Acid SCHEMBL12469361 0.82 MAP2K4 (0.45) CDC7CCNCCDK8MAP2K4TTK
SCHEMBL751010 0.82 MKNK1 (0.42) MKNK1MKNK2MAP4K4MAP2K4CHEK2
SCHEMBL2513559 0.80 ALOX15 (0.36) DHODHMAP2K4SMN1; SMN2MAPK1MAPKAPK3
SCHEMBL733156 0.76 DHODH (0.49) DHODHMAP2K4SMN1; SMN2MAPK1MAPKAPK3
SCHEMBL6160731 0.75 USP2 (0.34) SMN1; SMN2
SCHEMBL2513525 0.75 EGFR (0.47) MKNK1MKNK2
Carbamic Acid SCHEMBL27894860 0.73 CYP1A2 (0.45) DHODHCHEK2PARP1MAPK1
SCHEMBL27676654 0.72 ATM (0.41) MAP2K4SMN1; SMN2MAPK1MAPKAPK3MAPK6

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-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed