SCHEMBL7905856

SCHEMBL7905856

Nc1c(Nc2cccc(-c3ccncc3)n2)c(=O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.45
BLM P54132 1/20 0.41
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
SRC P12931 1/20 0.39
KARS1 Q15046 5/20 0.38
MAPK1 P28482 2/20 0.37
PLK1 P53350 2/20 0.37
SGK1 O00141 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
MAPK13 O15264 1/20 0.37
PDPK1 O15530 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
MET P08581 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL7913081 0.72 HDAC3 (0.46) BUB1BLMABL1BCRSRC
SCHEMBL4538709 0.71 MAPKAPK2 (0.50) MAPK1PLK1PLK4CHEK1ROCK2
SCHEMBL7090800 0.70 MEN1 (0.50) BUB1PLK1KDRNPC1RAB9A
SCHEMBL24075103 0.69 RAB9A (0.55) BUB1BLMABL1KARS1MAPK1
SCHEMBL902190 0.69 KARS1 (0.58) BLMABL1BCRSRCKARS1
SCHEMBL11551239 0.68 RAB9A (0.62) ABL1BCRSRCMAPK1MAP2K3
SCHEMBL901898 0.67 ASIC3 (0.69) ABL1BCRSRCMAPK1PDPK1
SCHEMBL902672 0.66 KARS1 (0.74) ABL1KARS1FYNKDRMAPK9
SCHEMBL902289 0.66 ITK (0.54) SRCKARS1KDRGSK3AGSK3B
SCHEMBL7352314 0.66 LMNA (0.49) BLMMAPK1ROCK2PRKCDROCK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US claimed
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US disclosed
WO-1994029277-A1 AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-12-22 WO disclosed