SCHEMBL4238679

SCHEMBL4238679

CCc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(-c1ccsc1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.50
PTK2 Q05397 6/20 0.48
PLK1 P53350 11/20 0.48
BRD4 O60885 11/20 0.48
ALK Q9UM73 3/20 0.43
TAF1 P21675 2/20 0.43
PLK3 Q9H4B4 3/20 0.43
BRDT Q58F21 2/20 0.43
DAPK3 O43293 2/20 0.43
PRKD3 O94806 2/20 0.43
CHEK2 O96017 2/20 0.43
EGFR P00533 2/20 0.43
FES P07332 2/20 0.43
PHKG2 P15735 2/20 0.43
CSNK1D P48730 2/20 0.43
CLK2 P49760 2/20 0.43
NEK2 P51955 2/20 0.43
CAMK2B Q13554 2/20 0.43
CAMK2G Q13555 2/20 0.43
CAMK2D Q13557 2/20 0.43

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
SCHEMBL4238736 0.93 IGF1R (0.51) IGF1RPTK2PLK1BRD4PLK3
SCHEMBL4234109 0.92 IGF1R (0.54) IGF1RPTK2PLK1BRD4ALK
SCHEMBL4235459 0.92 IGF1R (0.60) IGF1RPTK2PLK1BRD4ALK
SCHEMBL4223710 0.92 IGF1R (0.50) IGF1RPTK2PLK1BRD4ALK
SCHEMBL4380887 0.87 IGF1R (0.63) IGF1RPTK2PLK1BRD4ALK
SCHEMBL4245451 0.87 PTK2 (0.48) IGF1RPTK2PLK1BRD4ALK
SCHEMBL4245441 0.87 PTK2 (0.48) IGF1RPTK2PLK1BRD4ALK
SCHEMBL4241330 0.86 IGF1R (0.53) IGF1RPTK2PLK1BRD4PLK3
SCHEMBL4235611 0.85 IGF1R (0.64) IGF1RPTK2PLK1BRD4BRDT
SCHEMBL4234673 0.84 PTK2 (0.56) IGF1RPTK2PLK1BRD4BRDT

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