SCHEMBL4242801

SCHEMBL4242801

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.61
BRD4 O60885 11/20 0.55
PLK1 P53350 10/20 0.55
BRDT Q58F21 4/20 0.55
LRRK2 Q5S007 3/20 0.53
DCLK1 O15075 2/20 0.53
PTK2 Q05397 1/20 0.53
TAF1 P21675 1/20 0.53
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
MAPK7 Q13164 1/20 0.52

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
SCHEMBL4235611 0.95 IGF1R (0.64) IGF1RBRD4PLK1BRDTLRRK2
SCHEMBL4235700 0.94 IGF1R (0.58) IGF1RBRD4PLK1BRDTLRRK2
SCHEMBL4380887 0.92 IGF1R (0.63) IGF1RBRD4PLK1BRDTLRRK2
SCHEMBL4238365 0.92 IGF1R (0.61) IGF1RBRD4PLK1BRDTLRRK2
SCHEMBL4235459 0.91 IGF1R (0.60) IGF1RBRD4PLK1BRDTLRRK2
SCHEMBL4241330 0.87 IGF1R (0.53) IGF1RBRD4PLK1BRDTLRRK2
SCHEMBL4234109 0.86 IGF1R (0.54) IGF1RBRD4PLK1PTK2TAF1
SCHEMBL4226614 0.86 IGF1R (0.60) IGF1RBRD4PLK1BRDTLRRK2
SCHEMBL4236731 0.85 IGF1R (0.61) IGF1RBRD4LRRK2DCLK1PTK2
SCHEMBL4238681 0.85 AURKA (0.56) IGF1RBRD4PLK1BRDTLRRK2

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