SCHEMBL4756765

SCHEMBL4756765

O=C1Nc2ccc(C(=O)c3c[c]ccc3)cc2C1=CO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 8/20 0.51
RAF1 P04049 3/20 0.49
JAK3 P52333 7/20 0.46
NTRK1 P04629 1/20 0.46
PDPK1 O15530 2/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CCNB1 P14635 1/20 0.42
CCR6 P51684 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
ULK1 O75385 1/20 0.41
KIF15 Q9NS87 1/20 0.41

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
SCHEMBL3652100 0.90 TLK2 (0.41) TLK2RAF1JAK3NTRK1PDPK1
SCHEMBL3652102 0.90 TLK2 (0.41) TLK2RAF1JAK3NTRK1PDPK1
SCHEMBL3587084 0.80 PDPK1 (0.58) TLK2RAF1JAK3NTRK1PDPK1
SCHEMBL3587087 0.80 TLK2 (0.53) TLK2RAF1JAK3NTRK1PDPK1
SCHEMBL3571577 0.78 TLK2 (0.53) TLK2RAF1JAK3NTRK1PDPK1
SCHEMBL3571572 0.78 PDPK1 (0.55) TLK2RAF1JAK3NTRK1PDPK1
SCHEMBL3578104 0.75 JAK3 (0.55) TLK2RAF1JAK3PDPK1
SCHEMBL3578101 0.75 JAK3 (0.55) TLK2RAF1JAK3PDPK1
SCHEMBL3576565 0.73 JAK3 (0.60) TLK2RAF1JAK3PDPK1
SCHEMBL3576563 0.73 JAK3 (0.60) TLK2RAF1JAK3PDPK1

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-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed