SCHEMBL4241330

SCHEMBL4241330

COc1cc(C(=O)NC2CCN(C(C)C)CC2)ccc1Nc1ncc2c(n1)c(-c1ccsc1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.53
PLK1 P53350 11/20 0.50
BRD4 O60885 11/20 0.50
BRDT Q58F21 2/20 0.48
PTK2 Q05397 3/20 0.48
PLK3 Q9H4B4 2/20 0.47
PLK2 Q9NYY3 2/20 0.47
DCLK1 O15075 2/20 0.47
LRRK2 Q5S007 2/20 0.47
PDXK O00764 1/20 0.46
WEE1 P30291 1/20 0.46
NEK3 P51956 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
MAPK7 Q13164 1/20 0.45

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
SCHEMBL4235459 0.94 IGF1R (0.60) IGF1RPLK1BRD4BRDTPTK2
SCHEMBL4234109 0.89 IGF1R (0.54) IGF1RPLK1BRD4PTK2PLK3
SCHEMBL4242801 0.87 IGF1R (0.61) IGF1RPLK1BRD4BRDTPTK2
SCHEMBL4380887 0.87 IGF1R (0.63) IGF1RPLK1BRD4BRDTPTK2
SCHEMBL4235611 0.87 IGF1R (0.64) IGF1RPLK1BRD4BRDTPTK2
SCHEMBL4238736 0.87 IGF1R (0.51) IGF1RPLK1BRD4PTK2PLK3
SCHEMBL4238679 0.86 IGF1R (0.50) IGF1RPLK1BRD4BRDTPTK2
SCHEMBL4223710 0.86 IGF1R (0.50) IGF1RPLK1BRD4PTK2DCLK1
SCHEMBL4234673 0.86 PTK2 (0.56) IGF1RPLK1BRD4BRDTPTK2
SCHEMBL4235700 0.86 IGF1R (0.58) IGF1RPLK1BRD4BRDTPTK2

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