SCHEMBL4238376

SCHEMBL4238376

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)c(-c1ccccc1)c(OCC1CC1)c(=O)n2C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.57
PTK2 Q05397 6/20 0.57
RAD52 P43351 1/20 0.55
LRRK2 Q5S007 3/20 0.54
DCLK1 O15075 2/20 0.54
BRD4 O60885 2/20 0.54
MAPK7 Q13164 2/20 0.54
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53

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 0.95 PTK2 (0.57) IGF1RPTK2LRRK2DCLK1BRD4
SCHEMBL4234673 0.94 PTK2 (0.56) IGF1RPTK2RAD52LRRK2DCLK1
SCHEMBL4240903 0.94 PTK2 (0.55) IGF1RPTK2RAD52LRRK2DCLK1
SCHEMBL4241310 0.94 PTK2 (0.54) IGF1RPTK2RAD52LRRK2DCLK1
SCHEMBL4237048 0.93 PTK2 (0.57) IGF1RPTK2LRRK2BRD4AURKA
SCHEMBL4236731 0.93 IGF1R (0.61) IGF1RPTK2RAD52LRRK2DCLK1
SCHEMBL4234288 0.93 PTK2 (0.55) IGF1RPTK2LRRK2DCLK1BRD4
SCHEMBL4238729 0.92 PTK2 (0.55) IGF1RPTK2RAD52LRRK2DCLK1
SCHEMBL4240967 0.91 IGF1R (0.58) IGF1RPTK2RAD52LRRK2DCLK1
SCHEMBL4242720 0.91 PTK2 (0.55) IGF1RPTK2RAD52LRRK2DCLK1

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
WO-2009112524-A1 PYRIDOPYRIMIDINES AS PLK1 ( POLO-LIKE KINASE) INHIBITORS 4SC AG (DE) 2009-09-17 WO disclosed
EP-2100894-A1 Pyridopyrimidines used as Plk1 (polo-like kinase) inhibitors 4SC AG (DE) 2009-09-16 EP disclosed