SCHEMBL525859

SCHEMBL525859

CCc1cccc(CC)c1Nc1ccc(N2CCN(C)CC2)cc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 14/20 0.44
PLK1 P53350 2/20 0.40
PLK3 Q9H4B4 1/20 0.40
PLK2 Q9NYY3 1/20 0.40
ALK Q9UM73 3/20 0.40
JAK2 O60674 1/20 0.40
SRC P12931 1/20 0.40
TNK2 Q07912 1/20 0.40
PTK2 Q05397 1/20 0.40
ROS1 P08922 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
MELK Q14680 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
NEK6 Q9HC98 1/20 0.40

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
SCHEMBL12466557 0.86 TTK (0.55) TTKALKJAK2SRCTNK2
SCHEMBL16003359 0.79 MAPT (0.48) PLK1PLK3PLK2ALKNEK6
SCHEMBL3504890 0.76 EGFR (0.48) PLK1PLK3PLK2ALKNEK6
SCHEMBL12473971 0.75 ALK (0.53) TTKPLK1ALKTNK2PTK2
SCHEMBL1559108 0.75 TTK (0.85) TTKPLK1PLK3PLK2CSNK2A2
SCHEMBL409329 0.74 PLK1 (0.45) PLK1PLK3PLK2ALKCSNK2A2
SCHEMBL24620200 0.72 PLK1 (0.43) PLK1PLK3PLK2ALKSRC
SCHEMBL16003521 0.72 SIRT6 (0.45) PLK1
SCHEMBL16250622 0.72 PLK1 (0.47) PLK1PLK3PLK2ALKNEK6
SCHEMBL12500027 0.72 TTK (0.51) TTKPLK1ALKROS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598508-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY Nerviano Medical Sciences S.r.l. (IT) 2013-06-05 EP claimed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 WO claimed
EP-2598508-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY Nerviano Medical Sciences S.r.l. (IT) 2013-06-05 EP disclosed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 WO disclosed