SCHEMBL4055565

SCHEMBL4055565

CCNC(=O)Nc1ccc2nc(-c3cccc(C(=O)O)c3)cn2n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.57
MAPK8 P45983 3/20 0.57
MAPK9 P45984 3/20 0.57
MAPK10 P53779 3/20 0.57
MAPK1 P28482 3/20 0.57
DYRK3 O43781 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
TTK P33981 1/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
RIPK1 Q13546 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL13905159 0.90 PIK3CG (0.53) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4049544 0.85 ABL1 (0.51) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL13905321 0.83 PIK3CA (0.50) PIK3CAPIK3CG
SCHEMBL12708163 0.79 PIK3CA (0.67) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL13905328 0.78 PIK3CA (0.37) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL12664153 0.76 PIK3CG (0.48) PIK3CAMAPK8DYRK1BRIPK1PIK3CG
SCHEMBL12664385 0.76 PIK3CA (0.54) PIK3CARIPK1PIK3CG
SCHEMBL1553208 0.74 PIK3CA (0.65) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL12664788 0.74 RIPK1 (0.46) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL1553258 0.73 PIK3CA (0.60) PIK3CAMAPK8MAPK9MAPK10MAPK1

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
WO-2009027733-A1 (2-PYRIDIN-3-YLIMIDAZO[1,2-B]PYRIDAZIN-6-YL) UREA DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-03-05 WO disclosed
WO-2009027733-A1 (2-PYRIDIN-3-YLIMIDAZO[1,2-B]PYRIDAZIN-6-YL) UREA DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-03-05 WO disclosed