SCHEMBL525542

SCHEMBL525542

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1noc(C(=O)N[C@H](CNC(=O)O)c3ccccc3)c1CC2(C)C

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.74
EIF2AK3 Q9NZJ5 3/20 0.74
PIM1 P11309 1/20 0.57
PIM2 Q9P1W9 1/20 0.57
IGF1R P08069 12/20 0.52
PTK2 Q05397 3/20 0.49
AURKA O14965 1/20 0.48
PLK1 P53350 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
SCHEMBL525543 1.00 TTK (0.74) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL526621 0.94 TTK (0.85) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL10092921 0.93 TTK (0.70) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL525792 0.90 TTK (0.71) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL525791 0.90 TTK (0.71) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL12473974 0.90 TTK (0.72) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL12473975 0.90 TTK (0.72) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL14990366 0.86 TTK (0.83) TTKEIF2AK3IGF1RPTK2AURKA
SCHEMBL14990540 0.85 TTK (1.00) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL526356 0.85 TTK (1.00) TTKEIF2AK3PIM1PIM2IGF1R

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
US-9333205-B2 Isoxazolo-quinazolines as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-10 US disclosed
EP-2598508-B1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-22 EP disclosed
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