SCHEMBL4725307

SCHEMBL4725307

OC(CNc1ccnc(Nc2ccccc2)n1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.64
MAPK8 P45983 1/20 0.53
FAAH O00519 2/20 0.53
IDH2 P48735 1/20 0.48

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
SCHEMBL4880977 0.91 AURKA (0.54) AURKAMAPK8FAAH
SCHEMBL4779915 0.91 AURKA (0.52) AURKAMAPK8FAAH
SCHEMBL4884947 0.90 AURKA (0.56) AURKAMAPK8FAAHIDH2
SCHEMBL4725708 0.90 AURKA (0.56) AURKAMAPK8IDH2
SCHEMBL14292067 0.88 MEN1 (0.50) AURKAFAAH
SCHEMBL14292066 0.88 AURKA (0.55) AURKAMAPK8FAAH
SCHEMBL14292790 0.88 EGFR (0.56) AURKAMAPK8
SCHEMBL14292648 0.88 AURKA (0.53) AURKAMAPK8FAAH
SCHEMBL4880768 0.86 FAAH (0.51) AURKAMAPK8FAAH
SCHEMBL14292483 0.86 AURKA (0.48) AURKAMAPK8FAAH

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-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed