SCHEMBL4237100

SCHEMBL4237100

CC=Cc1c(OC2CC2)c(=O)n(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
LRRK2 Q5S007 2/20 0.54
PTK2 Q05397 5/20 0.53
BRD4 O60885 8/20 0.53
DCLK1 O15075 1/20 0.53
MAPK7 Q13164 1/20 0.53
PLK1 P53350 8/20 0.52
BRDT Q58F21 6/20 0.52
RAD52 P43351 2/20 0.52
IGF1R P08069 1/20 0.51

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
SCHEMBL4237095 1.00 AURKA (0.55) AURKAAURKBLRRK2PTK2BRD4
SCHEMBL4241063 0.97 PTK2 (0.56) AURKAAURKBLRRK2PTK2BRD4
SCHEMBL4060431 0.97 PTK2 (0.56) AURKAAURKBLRRK2PTK2BRD4
SCHEMBL4238700 0.94 AURKA (0.57) AURKAAURKBLRRK2PTK2BRD4
SCHEMBL4238706 0.94 AURKA (0.57) AURKAAURKBLRRK2PTK2BRD4
SCHEMBL4240068 0.93 PTK2 (0.55) AURKAAURKBLRRK2PTK2BRD4
SCHEMBL4240072 0.93 PTK2 (0.55) AURKAAURKBLRRK2PTK2BRD4
SCHEMBL4247616 0.90 PTK2 (0.57) AURKAAURKBLRRK2PTK2BRD4
SCHEMBL4247615 0.90 PTK2 (0.57) AURKAAURKBLRRK2PTK2BRD4
SCHEMBL4242812 0.90 BRD4 (0.54) AURKAAURKBLRRK2PTK2BRD4

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