SCHEMBL4060431

SCHEMBL4060431

CC=Cc1c(OC2CCC2)c(=O)n(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.56
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
LRRK2 Q5S007 2/20 0.53
BRD4 O60885 12/20 0.53
PLK1 P53350 11/20 0.53
BRDT Q58F21 9/20 0.53
DCLK1 O15075 1/20 0.52
MAPK7 Q13164 1/20 0.52
RAD52 P43351 1/20 0.52
TAF1 P21675 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
SCHEMBL4241063 1.00 PTK2 (0.56) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4237100 0.97 AURKA (0.55) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4237095 0.97 AURKA (0.55) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4238700 0.93 AURKA (0.57) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4238706 0.93 AURKA (0.57) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4240068 0.90 PTK2 (0.55) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4240072 0.90 PTK2 (0.55) PTK2AURKAAURKBLRRK2BRD4
SCHEMBL4238562 0.89 PTK2 (0.61) PTK2AURKAAURKBBRD4PLK1
SCHEMBL4238559 0.89 PTK2 (0.61) PTK2AURKAAURKBBRD4PLK1
SCHEMBL4247616 0.89 PTK2 (0.57) PTK2AURKAAURKBLRRK2BRD4

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