Sugi Predict

Sugi Predict / Compounds / SCHEMBL4247615

SCHEMBL4247615

SCHEMBL4247615

C/C=C/c1c(OCC2CC2)c(=O)n(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 5/20 0.57
▸ AURKA O14965 1/20 0.54
▸ AURKB Q96GD4 1/20 0.54
▸ LRRK2 Q5S007 2/20 0.53
▸ IGF1R P08069 1/20 0.53
▸ RAD52 P43351 1/20 0.53
▸ BRD4 O60885 9/20 0.52
▸ PLK1 P53350 9/20 0.52
▸ BRDT Q58F21 5/20 0.52
▸ DCLK1 O15075 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
SCHEMBL4247616 1.00 PTK2 (0.57) PTK2AURKAAURKBLRRK2IGF1R
SCHEMBL4238562 0.97 PTK2 (0.61) PTK2AURKAAURKBRAD52BRD4
SCHEMBL4238559 0.97 PTK2 (0.61) PTK2AURKAAURKBRAD52BRD4
SCHEMBL4240061 0.95 ALK (0.54) PTK2AURKAAURKBLRRK2IGF1R
SCHEMBL4240056 0.95 ALK (0.54) PTK2AURKAAURKBLRRK2IGF1R
SCHEMBL4240072 0.93 PTK2 (0.55) PTK2AURKAAURKBLRRK2IGF1R
SCHEMBL4240068 0.93 PTK2 (0.55) PTK2AURKAAURKBLRRK2IGF1R
SCHEMBL4238706 0.93 AURKA (0.57) PTK2AURKAAURKBLRRK2IGF1R
SCHEMBL4238700 0.93 AURKA (0.57) PTK2AURKAAURKBLRRK2IGF1R
SCHEMBL4238618 0.92 PTK2 (0.48) PTK2AURKAAURKBLRRK2IGF1R

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