SCHEMBL4234673

SCHEMBL4234673

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(-c1ccncc1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.56
IGF1R P08069 3/20 0.53
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
LRRK2 Q5S007 2/20 0.52
BRD4 O60885 6/20 0.51
PLK1 P53350 5/20 0.51
DCLK1 O15075 1/20 0.51
MAPK7 Q13164 1/20 0.51
RAD52 P43351 1/20 0.50
BRDT Q58F21 1/20 0.50

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
SCHEMBL4239695 0.94 PTK2 (0.57) PTK2IGF1RAURKAAURKBLRRK2
SCHEMBL4238376 0.94 IGF1R (0.57) PTK2IGF1RAURKAAURKBLRRK2
SCHEMBL4240903 0.93 PTK2 (0.55) PTK2IGF1RAURKAAURKBLRRK2
SCHEMBL4237048 0.93 PTK2 (0.57) PTK2IGF1RAURKAAURKBLRRK2
SCHEMBL4235459 0.92 IGF1R (0.60) PTK2IGF1RAURKAAURKBLRRK2
SCHEMBL4242296 0.91 PTK2 (0.54) PTK2IGF1RAURKAAURKBLRRK2
SCHEMBL4242720 0.91 PTK2 (0.55) PTK2IGF1RAURKAAURKBLRRK2
SCHEMBL4243514 0.91 BRD4 (0.55) PTK2IGF1RAURKAAURKBLRRK2
SCHEMBL4241310 0.90 PTK2 (0.54) PTK2IGF1RAURKAAURKBLRRK2
SCHEMBL4238729 0.90 PTK2 (0.55) PTK2IGF1RAURKAAURKBLRRK2

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-2100894-A1 Pyridopyrimidines used as Plk1 (polo-like kinase) inhibitors 4SC AG (DE) 2009-09-16 EP disclosed