SCHEMBL4127852

SCHEMBL4127852

COc1cc(Nc2ncc3c(C)nc(-c4[c]cccc4)n3n2)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.73
PLK3 Q9H4B4 2/20 0.73
CDK2 P24941 1/20 0.73
NEK5 Q6P3R8 1/20 0.68
PTK2 Q05397 2/20 0.51
JAK2 O60674 1/20 0.51
INSR P06213 1/20 0.51
ALK Q9UM73 1/20 0.51

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
SCHEMBL3994664 0.85 PLK1 (1.00) PLK1PLK3CDK2NEK5PTK2
SCHEMBL3994224 0.84 PLK1 (1.00) PLK1PLK3CDK2NEK5PTK2
SCHEMBL3994202 0.81 PLK1 (0.83) PLK1PLK3CDK2NEK5PTK2
SCHEMBL3994431 0.81 PLK1 (1.00) PLK1PLK3CDK2NEK5PTK2
SCHEMBL3995502 0.81 NEK5 (1.00) PLK1PLK3CDK2NEK5PTK2
SCHEMBL3994128 0.79 PLK1 (0.71) PLK1PLK3CDK2NEK5PTK2
SCHEMBL3995532 0.79 PLK1 (1.00) PLK1PLK3CDK2NEK5PTK2
SCHEMBL3992071 0.78 PLK1 (1.00) PLK1PLK3CDK2NEK5PTK2
SCHEMBL3994175 0.78 PLK1 (0.80) PLK1PLK3CDK2NEK5PTK2
SCHEMBL3992107 0.78 PLK1 (0.74) PLK1PLK3CDK2NEK5PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608656-B1 IMIDAZOTRIAZINE COMPOUNDS FOR THE TREATMENT OF CANCER DISEASES SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP claimed