SCHEMBL4049544

SCHEMBL4049544

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
ADORA2A P29274 3/20 0.49
TTK P33981 1/20 0.44
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
PIK3CA P42336 4/20 0.42
MAPK8 P45983 4/20 0.42
MAPK9 P45984 4/20 0.42
MAPK10 P53779 4/20 0.42
MAPK1 P28482 3/20 0.42
ALDH1A3 P47895 1/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39

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
SCHEMBL4055565 0.85 PIK3CA (0.57) TTKPIK3CAMAPK8MAPK9MAPK10
SCHEMBL13905159 0.83 PIK3CG (0.53) TTKPIK3CAMAPK8MAPK9MAPK10
SCHEMBL44694 0.81 ALDH1A3 (0.50) ADORA2AMAPK1ALDH1A3CTSSCTSK
SCHEMBL13905321 0.81 PIK3CA (0.50) ABL1PIK3CA
SCHEMBL12664426 0.77 CSNK1D (0.55) ADORA2ACSNK1DCSNK1EPIK3CAALDH1A3
SCHEMBL24509581 0.76 ADORA2A (0.48) ADORA2ACSNK1DCSNK1EALDH1A3NPC1
SCHEMBL30558747 0.76 ADORA2A (0.48) ADORA2ACSNK1DCSNK1EALDH1A3NPC1
SCHEMBL4340895 0.74 PIK3CA (0.75) ABL1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL44397 0.73 ALDH1A3 (0.53) ADORA2AALDH1A3CTSSCTSKNPC1
SCHEMBL13905328 0.72 PIK3CA (0.37) TTKPIK3CAMAPK8MAPK9MAPK10

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