SCHEMBL4056050

SCHEMBL4056050

CC(C)C(NCCCNC(=O)OC(C)(C)C)c1nc2cc(OC(F)F)nn2c(=O)n1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
GNRHR P30968 1/20 0.36
BRD4 O60885 8/20 0.35
DYRK1A Q13627 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
TLR7 Q9NYK1 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4048840 0.92 KIF11 (0.39) KIF11GNRHRBRD4DYRK1ASIGMAR1
SCHEMBL4051691 0.82 KIF11 (0.53) KIF11KCNH2
SCHEMBL4050591 0.82 KIF11 (0.41) KIF11GNRHRBRD4SIGMAR1ADORA2A
SCHEMBL4055834 0.82 KIF11 (0.41) KIF11GNRHRBRD4SIGMAR1ADORA2A
SCHEMBL13963456 0.81 SIGMAR1 (0.42) KIF11GNRHRBRD4SIGMAR1
SCHEMBL4056718 0.80 KIF11 (0.41) KIF11BRD4TLR7
SCHEMBL4056720 0.80 KIF11 (0.41) KIF11BRD4TLR7
SCHEMBL4049089 0.80 KIF11 (0.39) KIF11GNRHRBRD4SIGMAR1TLR7
SCHEMBL4056075 0.79 KIF11 (0.40) KIF11GNRHRBRD4SIGMAR1TLR7
SCHEMBL4056076 0.79 KIF11 (0.40) KIF11GNRHRBRD4SIGMAR1TLR7

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-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 EP disclosed