SCHEMBL3843337

SCHEMBL3843337

N#Cc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1F.O=C(O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.49
CDKL5 O76039 1/20 0.49
KDM1A O60341 2/20 0.40
PIK3CD O00329 1/20 0.35
HTR1A P08908 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CSNK1G3 Q9Y6M4 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL1952042 0.93 MET (0.55) METCDKL5PIK3CDHTR1APIK3R1
SCHEMBL1953604 0.92 MET (0.44) METCDKL5KDM1A
SCHEMBL1951995 0.86 MET (0.53) METCDKL5PIK3CDHTR1APIK3R1
SCHEMBL1951680 0.84 MET (0.67) METCDKL5
SCHEMBL837534 0.82 MET (0.56) METCDKL5
SCHEMBL1953122 0.82 MET (0.54) METCDKL5
SCHEMBL31181369 0.81 MET (0.44) METCDKL5
SCHEMBL1953493 0.81 MET (0.44) METCDKL5
SCHEMBL1952687 0.80 MET (0.52) METCDKL5
SCHEMBL12547681 0.80 MET (0.52) METCDKL5DYRK1A

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
EP-2099447-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-09-16 EP disclosed
WO-2008064157-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-05-29 WO disclosed