SCHEMBL10092911

SCHEMBL10092911

CN1CCN(c2ccc(Nc3ncc4c(n3)-c3onc(C(=O)O)c3CC4)c(OC(F)(F)F)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 18/20 0.67
▸ PLK3 Q9H4B4 8/20 0.60
▸ PLK2 Q9NYY3 6/20 0.60
▸ FLT3 P36888 5/20 0.60
▸ NEK6 Q9HC98 3/20 0.60
▸ TTK P33981 2/20 0.59
▸ ALK Q9UM73 1/20 0.56
▸ CSNK2A2 P19784 1/20 0.56
▸ CSNK2B P67870 1/20 0.56
▸ CSNK2A1 P68400 1/20 0.56
▸ MELK Q14680 1/20 0.56
▸ CSNK2A3 Q8NEV1 1/20 0.56
▸ CCNA2 P20248 3/20 0.56
▸ CDK2 P24941 3/20 0.56
▸ CCNA1 P78396 3/20 0.56
▸ PIM1 P11309 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
SCHEMBL10092912 0.93 PLK1 (0.68) PLK1PLK3PLK2FLT3NEK6
SCHEMBL526084 0.91 TTK (0.69) PLK1PLK3PLK2TTKCSNK2A2
SCHEMBL525963 0.91 PLK1 (0.59) PLK1PLK3PLK2FLT3NEK6
SCHEMBL526461 0.90 TTK (0.69) PLK1PLK3PLK2TTKCSNK2A2
Potassium SCHEMBL526463 0.90 TTK (0.69) PLK1PLK3PLK2TTKCSNK2A2
SCHEMBL10092918 0.89 PLK1 (0.67) PLK1PLK3PLK2FLT3NEK6
SCHEMBL526126 0.87 TTK (0.79) PLK1PLK3PLK2FLT3NEK6
SCHEMBL10092916 0.86 PLK1 (0.68) PLK1PLK3PLK2FLT3NEK6
Potassium Ion SCHEMBL526462 0.83 TTK (0.68) PLK1PLK3PLK2TTKALK
SCHEMBL526178 0.83 PLK1 (0.59) PLK1PLK3PLK2FLT3NEK6

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
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 — — WO disclosed
Send feedback