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SCHEMBL4049089

SCHEMBL4049089

COc1nn2c(=O)n(Cc3ccccc3)c(C(NCCCNC(=O)OC(C)(C)C)C(C)C)nc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.39
▸ BRD4 O60885 9/20 0.38
▸ TLR7 Q9NYK1 3/20 0.35
▸ GNRHR P30968 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ PDE1B Q01064 1/20 0.34

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
SCHEMBL4055834 0.92 KIF11 (0.41) KIF11BRD4GNRHRADORA3SIGMAR1
SCHEMBL4050591 0.92 KIF11 (0.41) KIF11BRD4GNRHRADORA3SIGMAR1
SCHEMBL4056718 0.90 KIF11 (0.41) KIF11BRD4TLR7ADORA3
SCHEMBL4056720 0.90 KIF11 (0.41) KIF11BRD4TLR7ADORA3
SCHEMBL4054974 0.87 KIF11 (0.39) KIF11BRD4GNRHRADORA3
SCHEMBL4054984 0.87 KIF11 (0.39) KIF11BRD4GNRHRADORA3
SCHEMBL4056076 0.86 KIF11 (0.40) KIF11BRD4TLR7GNRHRSIGMAR1
SCHEMBL4056075 0.86 KIF11 (0.40) KIF11BRD4TLR7GNRHRSIGMAR1
SCHEMBL4048840 0.85 KIF11 (0.39) KIF11BRD4GNRHRSIGMAR1PDE1B
SCHEMBL13963456 0.83 SIGMAR1 (0.42) KIF11BRD4GNRHRSIGMAR1

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-2009074677-A2 PYRAZOLOTRIAZINES 4SC AG (DE) 2009-06-18 — — WO disclosed
EP-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 — — EP disclosed